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

Systemtic Name: ethyl 2-oxidanylidene-6-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-allylbenzimidazol-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C18H20N4O3S/c1-3-9-22-15-8-6-5-7-13(15)21-18(22)26-11-14-12(16(23)25-4-2)10-19-17(24)20-14/h3,5-8H,1,4,9-11H2,2H3,(H2,19,20,24)