2-(3,5-dimethylphenoxy)ethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C20H21NO4S/c1-13-9-14(2)11-16(10-13)24-6-7-25-20(23)15-3-4-18-17(12-15)21-19(22)5-8-26-18/h3-4,9-12H,5-8H2,1-2H3,(H,21,22)