[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C30H22ClNO4S MolecularWeight: 528.01798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CS5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CS5)Cl

InChI

InChI=1S/C30H22ClNO4S/c1-19-25(31)14-13-23-24(16-26(32-29(19)23)28-8-5-15-37-28)30(34)36-18-27(33)21-9-11-22(12-10-21)35-17-20-6-3-2-4-7-20/h2-16H,17-18H2,1H3