ethyl (4S)-4-methyl-2-oxidanylidene-6-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(1-allylbenzimidazol-2-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C19H22N4O3S/c1-4-10-23-15-9-7-6-8-13(15)22-19(23)27-11-14-16(17(24)26-5-2)12(3)20-18(25)21-14/h4,6-9,12H,1,5,10-11H2,2-3H3,(H2,20,21,25)/t12-/m0/s1