6-(2-methoxy-2-oxidanylidene-ethyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine-2-carboxylic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine-2-carboxylic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine-2-carboxylic acid CAS Name: 6-(2-methoxy-2-oxoethyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine-2-carboxylic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine-2-carboxylic acid Traditional Name: 6-(2-keto-2-methoxy-ethyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine-2-carboxylic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=CC=CC=C2SC3=C(N1)C=CC(=C3)C(=O)O

Isomeric SMILES

COC(=O)CC1C2=CC=CC=C2SC3=C(N1)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15NO4S/c1-22-16(19)9-13-11-4-2-3-5-14(11)23-15-8-10(17(20)21)6-7-12(15)18-13/h2-8,13,18H,9H2,1H3,(H,20,21)