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

Systemtic Name: 2-dimethylaminoethyl 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-9-carboxylate Openeye Name: 2-dimethylaminoethyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate CAS Name: 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate Traditional Name: 6-keto-5H-benzo[b][1,4]benzothiazepine-9-carboxylic acid 2-dimethylaminoethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O3S/c1-20(2)9-10-23-18(22)12-7-8-13-16(11-12)24-15-6-4-3-5-14(15)19-17(13)21/h3-8,11H,9-10H2,1-2H3,(H,19,21)