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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic 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)C2=CC3=C(C=C2)SC(C(=O)N3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C)C

InChI

InChI=1S/C21H22N2O4S/c1-4-14-7-5-6-12(2)19(14)23-18(24)11-27-21(26)15-8-9-17-16(10-15)22-20(25)13(3)28-17/h5-10,13H,4,11H2,1-3H3,(H,22,25)(H,23,24)