ethyl 6-(3-ethoxy-4-phenylmethoxy-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-ethoxy-4-phenylmethoxy-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-benzyloxy-3-ethoxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-phenylmethoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-ethoxy-4-phenylmethoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-benzoxy-3-ethoxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S/c1-5-28-20-14-18(12-13-19(20)30-15-17-10-8-7-9-11-17)22-21(23(27)29-6-2)16(3)26(4)24(31)25-22/h7-14,22H,5-6,15H2,1-4H3,(H,25,31)