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

Systemtic Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-3-propoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-propoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-propoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-propoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-9-keto-1,2-dimethoxy-10-(methylthio)-3-propoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

Isomeric SMILES

CCCOC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC

InChI

InChI=1S/C24H29NO5S/c1-6-11-30-20-12-15-7-9-18(25-14(2)26)17-13-19(27)21(31-5)10-8-16(17)22(15)24(29-4)23(20)28-3/h8,10,12-13,18H,6-7,9,11H2,1-5H3,(H,25,26)/t18-/m0/s1