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

Systemtic Name: 4-oxidanylidene-4-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]butanoate Openeye Name: 4-oxo-4-[[4-(4-propylphenyl)thiazol-2-yl]amino]butanoate CAS Name: 4-oxo-4-[[4-(4-propylphenyl)-2-thiazolyl]amino]butanoate IUPAC Name: 4-oxo-4-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]butanoate Traditional Name: 4-keto-4-[[4-(4-propylphenyl)thiazol-2-yl]amino]butyrate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-2-3-11-4-6-12(7-5-11)13-10-22-16(17-13)18-14(19)8-9-15(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,20,21)(H,17,18,19)/p-1