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

Systemtic Name: 2-azanyl-2-phenyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: 2-amino-2-phenyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: 2-amino-2-phenyl-N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: 2-amino-2-phenyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: 2-amino-N-[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-2-phenyl-acetamide Formula: C28H30N2O5S MolecularWeight: 506.6132

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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)C(C4=CC=CC=C4)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C(C4=CC=CC=C4)N)OC)OC

InChI

InChI=1S/C28H30N2O5S/c1-33-22-14-17-10-12-20(30-28(32)25(29)16-8-6-5-7-9-16)19-15-21(31)23(36-4)13-11-18(19)24(17)27(35-3)26(22)34-2/h5-9,11,13-15,20,25H,10,12,29H2,1-4H3,(H,30,32)/t20-,25?/m0/s1