(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C20H20N3O2S2+ MolecularWeight: 398.5217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+]C(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+][C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H19N3O2S2/c1-2-25-20(24)18-15(14(11-21)19(22)27-18)12-23-17(16-9-6-10-26-16)13-7-4-3-5-8-13/h3-10,17,23H,2,12,22H2,1H3/p+1/t17-/m1/s1