phenyl 4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: phenyl 4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenyl 4-[4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-anilino-2-keto-ethoxy)-3-ethoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC3=CC=CC=C3)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC3=CC=CC=C3)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5S/c1-3-34-23-16-19(14-15-22(23)35-17-24(32)30-20-10-6-4-7-11-20)26-25(18(2)29-28(37)31-26)27(33)36-21-12-8-5-9-13-21/h4-16,26H,3,17H2,1-2H3,(H,30,32)(H2,29,31,37)