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

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

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