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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(3-thenyl)ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C21H25N3O4S/c1-4-28-20(25)18-17(12-24(2)11-14-9-10-29-13-14)22-21(26)23-19(18)15-5-7-16(27-3)8-6-15/h5-10,13,19H,4,11-12H2,1-3H3,(H2,22,23,26)/p+1/t19-/m0/s1