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

Systemtic Name: 5-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[5-methyl-4-(p-tolyl)thiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[5-methyl-4-(4-methylphenyl)-2-thiazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[5-methyl-4-(p-tolyl)thiazol-2-yl]amino]valerate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C16H18N2O3S/c1-10-6-8-12(9-7-10)15-11(2)22-16(18-15)17-13(19)4-3-5-14(20)21/h6-9H,3-5H2,1-2H3,(H,20,21)(H,17,18,19)/p-1