ethyl 1-[4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(E)-(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]nipecotic acid ethyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)/C=C/3\C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C24H24N2O4S/c1-2-30-24(29)18-6-5-13-26(15-18)23(28)17-11-9-16(10-12-17)14-21-22(27)25-19-7-3-4-8-20(19)31-21/h3-4,7-12,14,18H,2,5-6,13,15H2,1H3,(H,25,27)/b21-14+