[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O4S/c1-14-6-8-15(9-7-14)21-18(23)12-26-20(25)10-11-22-16-4-2-3-5-17(16)27-13-19(22)24/h2-9H,10-13H2,1H3,(H,21,23)