2-methoxyethyl 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-methyl-4-phenethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-methyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-phenethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CCC2=CC=CC=C2)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1)CCC2=CC=CC=C2)C(=O)OCCOC

InChI

InChI=1S/C17H22N2O3S/c1-12-15(16(20)22-11-10-21-2)14(19-17(23)18-12)9-8-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H2,18,19,23)