[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C18H16N2O4S2/c1-25-13-4-2-3-12(8-13)19-16(21)9-24-18(23)11-5-6-15-14(7-11)20-17(22)10-26-15/h2-8H,9-10H2,1H3,(H,19,21)(H,20,22)