(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-(2-furanylmethyl)-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(2-furfuryl)-methyl-ammonium Formula: C15H18N3O3S+ MolecularWeight: 320.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=CO2

InChI

InChI=1S/C15H17N3O3S/c1-3-20-15(19)13-12(11(7-16)14(17)22-13)9-18(2)8-10-5-4-6-21-10/h4-6H,3,8-9,17H2,1-2H3/p+1