[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH2+]C(C2=CC=C(C=C2)C)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH2+][C@H](C2=CC=C(C=C2)C)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C22H27N3O3S/c1-4-16-19(21(26)28-5-2)17(25-22(27)24-16)13-23-20(18-7-6-12-29-18)15-10-8-14(3)9-11-15/h6-12,16,20,23H,4-5,13H2,1-3H3,(H2,24,25,27)/p+1/t16-,20+/m0/s1