(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(3-chloranyl-4-phenoxy-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(3-chloranyl-4-phenoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(3-chloro-4-phenoxy-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-phenoxyanilino)-4-oxobutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(3-chloro-4-phenoxyanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-phenoxy-anilino)-4-keto-butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H18ClNO5S MolecularWeight: 443.90002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CS3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C22H18ClNO5S/c23-17-13-15(8-9-19(17)29-16-5-2-1-3-6-16)24-21(26)10-11-22(27)28-14-18(25)20-7-4-12-30-20/h1-9,12-13H,10-11,14H2,(H,24,26)