ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[allyl(2-thienylmethyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[allyl(2-thenyl)amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(CC=C)CC2=CC=CS2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN(CC=C)CC2=CC=CS2)C(=O)OCC

InChI

InChI=1S/C18H25N3O3S/c1-4-9-21(11-13-8-7-10-25-13)12-15-16(17(22)24-6-3)14(5-2)19-18(23)20-15/h4,7-8,10,14H,1,5-6,9,11-12H2,2-3H3,(H2,19,20,23)/t14-/m0/s1