4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-[4-(4-methoxyphenyl)thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-methoxyphenyl)-2-thiazolyl]-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[4-(4-methoxyphenyl)thiazol-2-yl]amino]-4-keto-butyric acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-27-17-9-7-16(8-10-17)18-14-28-21(22-18)23(19(24)11-12-20(25)26)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,25,26)