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

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O5S/c1-2-27-16-9-7-15(8-10-16)22-19(24)13-28-21(26)11-12-23-17-5-3-4-6-18(17)29-14-20(23)25/h3-10H,2,11-14H2,1H3,(H,22,24)