ethyl 2-[[4-(4-methoxycarbonylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-methoxycarbonylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-methoxycarbonylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methoxycarbonylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methoxycarbonylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-carbomethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(NC(=S)NC3C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(NC(=S)NC3C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C27H25N3O5S2/c1-4-35-26(33)21-19(16-8-6-5-7-9-16)14-37-24(21)30-23(31)20-15(2)28-27(36)29-22(20)17-10-12-18(13-11-17)25(32)34-3/h5-14,22H,4H2,1-3H3,(H,30,31)(H2,28,29,36)