methyl 4-[(2,3-dimethyl-4-oxidanylidene-6,7-dihydro-5H-thieno[2,3-b]azepin-8-yl)carbonyl]-2-methoxy-benzoate

Systemtic Name: methyl 4-[(2,3-dimethyl-4-oxidanylidene-6,7-dihydro-5H-thieno[2,3-b]azepin-8-yl)carbonyl]-2-methoxy-benzoate Openeye Name: methyl 4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-thieno[2,3-b]azepine-8-carbonyl)-2-methoxy-benzoate CAS Name: 4-[(2,3-dimethyl-4-oxo-6,7-dihydro-5H-thieno[2,3-b]azepin-8-yl)-oxomethyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-thieno[2,3-b]azepine-8-carbonyl)-2-methoxybenzoate Traditional Name: 4-(4-keto-2,3-dimethyl-6,7-dihydro-5H-thien[2,3-b]azepine-8-carbonyl)-2-methoxy-benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)CCCN2C(=O)C3=CC(=C(C=C3)C(=O)OC)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)CCCN2C(=O)C3=CC(=C(C=C3)C(=O)OC)OC)C

InChI

InChI=1S/C20H21NO5S/c1-11-12(2)27-19-17(11)15(22)6-5-9-21(19)18(23)13-7-8-14(20(24)26-4)16(10-13)25-3/h7-8,10H,5-6,9H2,1-4H3