4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-tert-butylphenyl)-5-methyl-thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(4-tert-butylphenyl)-5-methyl-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(4-tert-butylphenyl)-5-methyl-thiazol-2-yl]amino]-4-keto-butyrate Formula: C18H21N2O3S- MolecularWeight: 345.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)CCC(=O)[O-])C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)CCC(=O)[O-])C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H22N2O3S/c1-11-16(12-5-7-13(8-6-12)18(2,3)4)20-17(24-11)19-14(21)9-10-15(22)23/h5-8H,9-10H2,1-4H3,(H,22,23)(H,19,20,21)/p-1