[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O5S/c1-3-28-16-8-9-17-19(12-16)30-22(23-17)24-20(26)10-11-21(27)29-13-18(25)15-6-4-14(2)5-7-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,24,26)