2-hydroxyethyl 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-9-carboxylate

Systemtic Name: 2-hydroxyethyl 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-9-carboxylate Openeye Name: 2-hydroxyethyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate CAS Name: 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate Traditional Name: 6-keto-5H-benzo[b][1,4]benzothiazepine-9-carboxylic acid 2-hydroxyethyl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)C(=O)OCCO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)C(=O)OCCO

InChI

InChI=1S/C16H13NO4S/c18-7-8-21-16(20)10-5-6-11-14(9-10)22-13-4-2-1-3-12(13)17-15(11)19/h1-6,9,18H,7-8H2,(H,17,19)