4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[benzyl-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-(phenylmethyl)amino]-4-oxobutanoate IUPAC Name: 4-[benzyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[benzyl-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-4-keto-butyrate Formula: C22H21N2O5S- MolecularWeight: 425.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H22N2O5S/c1-28-16-8-9-19(29-2)17(12-16)18-14-30-22(23-18)24(20(25)10-11-21(26)27)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,27)/p-1