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

Systemtic Name: [(4S)-5-ethoxycarbonyl-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S,2R)-2-methylcyclohexyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S,2R)-2-methylcyclohexyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S,2R)-2-methylcyclohexyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S,2R)-2-methylcyclohexyl]azanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1S,2R)-2-methylcyclohexyl]ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)C[NH2+]C3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CS2)C[NH2+][C@H]3CCCC[C@H]3C

InChI

InChI=1S/C19H27N3O3S/c1-3-25-18(23)16-14(11-20-13-8-5-4-7-12(13)2)21-19(24)22-17(16)15-9-6-10-26-15/h6,9-10,12-13,17,20H,3-5,7-8,11H2,1-2H3,(H2,21,22,24)/p+1/t12-,13+,17-/m1/s1