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

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-10-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-10-mercapto-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-9-keto-10-mercapto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)S)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)S)OC)OC)OC

InChI

InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25-2)20(26-3)21(27-4)19(12)13-6-8-18(28)16(24)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,28)/t15-/m0/s1