N-[(7S)-4-azanyl-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-4-azanyl-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-4-amino-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-4-amino-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-4-amino-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-4-amino-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2N)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2N)OC)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-11(25)24-15-8-6-13-18(12-7-9-17(30-5)16(26)10-14(12)15)20(27-2)22(29-4)21(28-3)19(13)23/h7,9-10,15H,6,8,23H2,1-5H3,(H,24,25)/t15-/m0/s1