methyl (4S)-4-(4-chlorophenyl)-6-(2-oxidanylidenechromen-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-chlorophenyl)-6-(2-oxidanylidenechromen-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-chlorophenyl)-6-(2-oxochromen-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-(2-oxo-1-benzopyran-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-chlorophenyl)-6-(2-oxochromen-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-6-(2-ketochromen-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)C1=C(NC(=S)N[C@H]1C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H15ClN2O4S/c1-27-20(26)16-17(11-6-8-13(22)9-7-11)23-21(29)24-18(16)14-10-12-4-2-3-5-15(12)28-19(14)25/h2-10,17H,1H3,(H2,23,24,29)/t17-/m0/s1