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

Systemtic Name: ethyl 5-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=NC=C(C(=C4C)OC)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=NC=C(C(=C4C)OC)C

InChI

InChI=1S/C25H24N2O4S/c1-5-31-25(29)17-10-11-22-20(12-17)27(24(28)18-8-6-7-9-21(18)32-22)14-19-16(3)23(30-4)15(2)13-26-19/h6-13H,5,14H2,1-4H3