ethyl 1-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H27N3O6S2 MolecularWeight: 577.67118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C(=CN=C3SCC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C(=CN=C3SCC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H27N3O6S2/c1-3-37-27(35)21-15-23(20-13-9-6-10-14-20)40-25(21)31-24(33)17-32-26(34)22(28(36)38-4-2)16-30-29(32)39-18-19-11-7-5-8-12-19/h5-16H,3-4,17-18H2,1-2H3,(H,31,33)