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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(2,3-dimethylanilino)-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-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-14-6-5-7-16(15(14)2)22-19(24)12-27-21(26)10-11-23-17-8-3-4-9-18(17)28-13-20(23)25/h3-9H,10-13H2,1-2H3,(H,22,24)