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

Systemtic Name: 4-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-methyl-4-(4-propylphenyl)-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]amino]butyrate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C17H20N2O3S/c1-3-4-12-5-7-13(8-6-12)16-11(2)23-17(19-16)18-14(20)9-10-15(21)22/h5-8H,3-4,9-10H2,1-2H3,(H,21,22)(H,18,19,20)/p-1