[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH2+]C(C2=CC=CC=C2)C(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH2+][C@H](C2=CC=CC=C2)C(C)C)C(=O)NC)N

InChI

InChI=1S/C20H27N3O3S/c1-5-26-20(25)15-14(17(19(24)22-4)27-18(15)21)11-23-16(12(2)3)13-9-7-6-8-10-13/h6-10,12,16,23H,5,11,21H2,1-4H3,(H,22,24)/p+1/t16-/m0/s1