5-[[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-[[4-(4-sec-butylphenyl)thiazol-2-yl]amino]pentanoic acid CAS Name: 5-[[4-(4-butan-2-ylphenyl)-2-thiazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[4-(4-sec-butylphenyl)thiazol-2-yl]amino]valeric acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H22N2O3S/c1-3-12(2)13-7-9-14(10-8-13)15-11-24-18(19-15)20-16(21)5-4-6-17(22)23/h7-12H,3-6H2,1-2H3,(H,22,23)(H,19,20,21)