[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-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-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CN2C(=O)CSC3=CC=CC=C32)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CN2C(=O)CSC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O4S/c1-3-15-8-6-7-14(2)21(15)22-18(24)12-27-20(26)11-23-16-9-4-5-10-17(16)28-13-19(23)25/h4-10H,3,11-13H2,1-2H3,(H,22,24)