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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH2+]C(C2=CC=C(C=C2)C(C)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH2+][C@H](C2=CC=C(C=C2)C(C)C)C3=CC=CS3

InChI

InChI=1S/C22H27N3O3S/c1-4-28-21(26)17-12-24-22(27)25-18(17)13-23-20(19-6-5-11-29-19)16-9-7-15(8-10-16)14(2)3/h5-11,14,20,23H,4,12-13H2,1-3H3,(H2,24,25,27)/p+1/t20-/m1/s1