ethyl (3S)-1-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(3-keto-1,4-benzothiazin-4-yl)propanoyl]nipecotic acid ethyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C19H24N2O4S/c1-2-25-19(24)14-6-5-10-20(12-14)17(22)9-11-21-15-7-3-4-8-16(15)26-13-18(21)23/h3-4,7-8,14H,2,5-6,9-13H2,1H3/t14-/m0/s1