3-(2-methoxyphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-(2-methoxyphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(2-methoxyphenyl)propyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(2-methoxyphenyl)propyl ester IUPAC Name: 3-(2-methoxyphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(2-methoxyphenyl)propyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC=CC=C2OC

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC=CC=C2OC

InChI

InChI=1S/C16H20N2O3S/c1-11-13(10-17-16(22)18-11)15(19)21-9-5-7-12-6-3-4-8-14(12)20-2/h3-4,6,8H,5,7,9-10H2,1-2H3,(H2,17,18,22)