ethyl 1-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C30H29N3O6S2 MolecularWeight: 591.69776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)SCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)SCCC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O6S2/c1-3-38-28(36)22-17-31-30(40-16-15-20-11-7-5-8-12-20)33(27(22)35)18-24(34)32-26-25(29(37)39-4-2)23(19-41-26)21-13-9-6-10-14-21/h5-14,17,19H,3-4,15-16,18H2,1-2H3,(H,32,34)