ethyl 1-[3-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(3-keto-1,4-benzothiazin-4-yl)methyl]benzoyl]nipecotic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C24H26N2O4S/c1-2-30-24(29)19-9-6-12-25(15-19)23(28)18-8-5-7-17(13-18)14-26-20-10-3-4-11-21(20)31-16-22(26)27/h3-5,7-8,10-11,13,19H,2,6,9,12,14-16H2,1H3