ethyl 4-[2-(cyanomethoxy)-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(cyanomethoxy)-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(cyanomethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-(cyanomethoxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyanomethoxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-(cyanomethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C(=CC=C2)OC)OCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C(=CC=C2)OC)OCC#N)C

InChI

InChI=1S/C17H19N3O4S/c1-4-23-16(21)13-10(2)19-17(25)20-14(13)11-6-5-7-12(22-3)15(11)24-9-8-18/h5-7,14H,4,9H2,1-3H3,(H2,19,20,25)