[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C20H17N3O3S2/c1-12-2-5-14(6-3-12)21-20-22-15(10-28-20)9-26-19(25)13-4-7-17-16(8-13)23-18(24)11-27-17/h2-8,10H,9,11H2,1H3,(H,21,22)(H,23,24)