methyl 4-oxidanylidene-4-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]butanoate Openeye Name: methyl 4-oxo-4-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]butanoate CAS Name: 4-oxo-4-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]butanoate Traditional Name: 4-keto-4-[[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]butyric acid methyl ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)CCC(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)CCC(=O)OC)OC)OC

InChI

InChI=1S/C25H29NO7S/c1-30-19-12-14-6-8-17(26-21(28)10-11-22(29)31-2)16-13-18(27)20(34-5)9-7-15(16)23(14)25(33-4)24(19)32-3/h7,9,12-13,17H,6,8,10-11H2,1-5H3,(H,26,28)