(E)-3-[4-[3,4-bis(oxidanyl)-5-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-N-[4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]prop-2-enamide

Systemtic Name: (E)-3-[4-[3,4-bis(oxidanyl)-5-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-N-[4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]prop-2-enamide Openeye Name: (E)-3-[4-[3,4-dihydroxy-5-[(Z)-1-methyl-3-phenylsulfanyl-prop-1-enyl]tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-3-[4-[[3,4-dihydroxy-5-[(Z)-4-(phenylthio)but-2-en-2-yl]-2-oxolanyl]oxy]-3-hydroxyphenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-3-[4-[3,4-dihydroxy-5-[(Z)-4-phenylsulfanylbut-2-en-2-yl]oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-3-[4-[3,4-dihydroxy-5-[(Z)-1-methyl-3-(phenylthio)prop-1-enyl]tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)acrylamide Formula: C31H37NO11S MolecularWeight: 631.69058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=CC=CC=C1)C2C(C(C(O2)OC3=C(C=C(C=C3)C=C(C)C(=O)NC4C(C(C5C(C4O)OCO5)O)O)O)O)O

Isomeric SMILES

C/C(=C/CSC1=CC=CC=C1)/C2C(C(C(O2)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)NC4C(C(C5C(C4O)OCO5)O)O)O)O)O

InChI

InChI=1S/C31H37NO11S/c1-15(10-11-44-18-6-4-3-5-7-18)27-25(37)26(38)31(43-27)42-20-9-8-17(13-19(20)33)12-16(2)30(39)32-21-22(34)24(36)29-28(23(21)35)40-14-41-29/h3-10,12-13,21-29,31,33-38H,11,14H2,1-2H3,(H,32,39)/b15-10-,16-12+