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

Systemtic Name: 5-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[5-methyl-4-(4-propylphenyl)-2-thiazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[5-methyl-4-(4-propylphenyl)thiazol-2-yl]amino]valerate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-3-5-13-8-10-14(11-9-13)17-12(2)24-18(20-17)19-15(21)6-4-7-16(22)23/h8-11H,3-7H2,1-2H3,(H,22,23)(H,19,20,21)/p-1