ethyl 1-[[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(o-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-keto-4-(2-methylbenzyl)-1,4-benzothiazine-6-carbonyl]isonipecotic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4C

InChI

InChI=1S/C25H28N2O4S/c1-3-31-25(30)18-10-12-26(13-11-18)24(29)19-8-9-22-21(14-19)27(23(28)16-32-22)15-20-7-5-4-6-17(20)2/h4-9,14,18H,3,10-13,15-16H2,1-2H3