4-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-ethyl-4-(4-isopropylphenyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-ethyl-4-(4-propan-2-ylphenyl)-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[(5-ethyl-4-p-cumenyl-thiazol-2-yl)amino]-4-keto-butyrate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)CCC(=O)[O-])C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)CCC(=O)[O-])C2=CC=C(C=C2)C(C)C

InChI

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