methyl 4-[(4R)-5-(4-chlorophenyl)carbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-5-(4-chlorophenyl)carbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-(4-chlorobenzoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-5-[(4-chlorophenyl)-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-(4-chlorobenzoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-(4-chlorobenzoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-11-16(18(24)13-7-9-15(21)10-8-13)17(23-20(27)22-11)12-3-5-14(6-4-12)19(25)26-2/h3-10,17H,1-2H3,(H2,22,23,27)/t17-/m1/s1