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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C18H22N2O3S/c1-3-4-5-13-6-8-14(9-7-13)17-12(2)24-18(20-17)19-15(21)10-11-16(22)23/h6-9H,3-5,10-11H2,1-2H3,(H,22,23)(H,19,20,21)/p-1