[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)acetic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)CSC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)CSC3=CC=CC=C32)C

InChI

InChI=1S/C20H20N2O4S/c1-13-7-8-15(9-14(13)2)21-18(23)11-26-20(25)10-22-16-5-3-4-6-17(16)27-12-19(22)24/h3-9H,10-12H2,1-2H3,(H,21,23)