methyl 5-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 5-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C24H22N2O4S/c1-14-12-25-18(15(2)22(14)29-3)13-26-19-11-16(24(28)30-4)9-10-21(19)31-20-8-6-5-7-17(20)23(26)27/h5-12H,13H2,1-4H3