ethyl (4S)-6-[[(2-chlorophenyl)methylamino]methyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(2-chlorophenyl)methylamino]methyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(2-chlorophenyl)methylamino]methyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(2-chlorophenyl)methylamino]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(2-chlorophenyl)methylamino]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(2-chlorobenzyl)amino]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CNCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CS2)CNCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN3O3S/c1-2-26-18(24)16-14(11-21-10-12-6-3-4-7-13(12)20)22-19(25)23-17(16)15-8-5-9-27-15/h3-9,17,21H,2,10-11H2,1H3,(H2,22,23,25)/t17-/m1/s1