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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-3-15-18(20(25)27-4-2)16(24-21(26)23-15)13-22-19(17-11-8-12-28-17)14-9-6-5-7-10-14/h5-12,15,19,22H,3-4,13H2,1-2H3,(H2,23,24,26)/p+1/t15-,19+/m0/s1