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

Systemtic Name: 3-[5-azanyl-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: 3-[5-amino-4-[4-(4-chlorophenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 3-[5-amino-4-[4-(4-chlorophenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]benzoate IUPAC Name: 3-[5-amino-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[2-amino-3-[4-(4-chlorophenyl)thiazol-2-yl]-4-keto-2-pyrrolin-1-yl]benzoate Formula: C20H13ClN3O3S- MolecularWeight: 410.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)[O-])N)C3=NC(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)[O-])N)C3=NC(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O3S/c21-13-6-4-11(5-7-13)15-10-28-19(23-15)17-16(25)9-24(18(17)22)14-3-1-2-12(8-14)20(26)27/h1-8,10H,9,22H2,(H,26,27)/p-1