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

Systemtic Name: 4-[4-(4-cyanophenyl)-2-oxidanylidene-1,3-thiazol-3-yl]butanoate Openeye Name: 4-[4-(4-cyanophenyl)-2-oxo-thiazol-3-yl]butanoate CAS Name: 4-[4-(4-cyanophenyl)-2-oxo-3-thiazolyl]butanoate IUPAC Name: 4-[4-(4-cyanophenyl)-2-oxo-1,3-thiazol-3-yl]butanoate Traditional Name: 4-[4-(4-cyanophenyl)-2-keto-4-thiazolin-3-yl]butyrate Formula: C14H11N2O3S- MolecularWeight: 287.31374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CSC(=O)N2CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CSC(=O)N2CCCC(=O)[O-]

InChI

InChI=1S/C14H12N2O3S/c15-8-10-3-5-11(6-4-10)12-9-20-14(19)16(12)7-1-2-13(17)18/h3-6,9H,1-2,7H2,(H,17,18)/p-1