dipropan-2-yl (Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-but-2-enedioate

Systemtic Name: dipropan-2-yl (Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-but-2-enedioate Openeye Name: diisopropyl (Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-but-2-enedioate CAS Name: (Z)-2-(1,3-benzothiazol-2-ylthio)-3-methyl-2-butenedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-methylbut-2-enedioate Traditional Name: (Z)-2-(1,3-benzothiazol-2-ylthio)-3-methyl-but-2-enedioic acid diisopropyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C(C(=O)OC(C)C)SC1=NC2=CC=CC=C2S1)C

Isomeric SMILES

CC(C)OC(=O)/C(=C(/C(=O)OC(C)C)\SC1=NC2=CC=CC=C2S1)/C

InChI

InChI=1S/C18H21NO4S2/c1-10(2)22-16(20)12(5)15(17(21)23-11(3)4)25-18-19-13-8-6-7-9-14(13)24-18/h6-11H,1-5H3/b15-12-