ethyl 2-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H26ClN3O4S2 MolecularWeight: 616.14954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C32H26ClN3O4S2/c1-2-40-31(39)29-24(21-11-5-3-6-12-21)20-41-30(29)35-27(37)18-36-28(38)17-26(22-13-7-4-8-14-22)34-32(36)42-19-23-15-9-10-16-25(23)33/h3-17,20H,2,18-19H2,1H3,(H,35,37)