4-chloranyl-3-[[(5Z)-4-oxidanylidene-5-(quinolin-6-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[(5Z)-4-oxidanylidene-5-(quinolin-6-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[(5Z)-4-oxo-5-(6-quinolylmethylene)thiazol-2-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[(5Z)-4-oxo-5-(6-quinolinylmethylidene)-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(5Z)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(5Z)-4-keto-5-(6-quinolylmethylene)-2-thiazolin-2-yl]amino]benzoic acid Formula: C20H12ClN3O3S MolecularWeight: 409.84558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NC4=C(C=CC(=C4)C(=O)O)Cl)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)N=C(S3)NC4=C(C=CC(=C4)C(=O)O)Cl)N=C1

InChI

InChI=1S/C20H12ClN3O3S/c21-14-5-4-13(19(26)27)10-16(14)23-20-24-18(25)17(28-20)9-11-3-6-15-12(8-11)2-1-7-22-15/h1-10H,(H,26,27)(H,23,24,25)/b17-9-