[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C25H21ClN2O4S/c26-23-12-11-22(33-23)21(29)16-32-24(30)13-10-19-25(31)28(15-14-17-6-2-1-3-7-17)20-9-5-4-8-18(20)27-19/h1-9,11-12H,10,13-16H2