4-[5-azanyl-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[5-azanyl-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]butanoic acid Openeye Name: 4-[5-amino-4-[4-(4-chlorophenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]butanoic acid CAS Name: 4-[5-amino-4-[4-(4-chlorophenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]butanoic acid IUPAC Name: 4-[5-amino-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]butanoic acid Traditional Name: 4-[2-amino-3-[4-(4-chlorophenyl)thiazol-2-yl]-4-keto-2-pyrrolin-1-yl]butyric acid Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CCCC(=O)O)N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(=O)C(=C(N1CCCC(=O)O)N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O3S/c18-11-5-3-10(4-6-11)12-9-25-17(20-12)15-13(22)8-21(16(15)19)7-1-2-14(23)24/h3-6,9H,1-2,7-8,19H2,(H,23,24)