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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-methyl-(3-thenyl)ammonium Formula: C15H18N3O2S2+ MolecularWeight: 336.45232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CSC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C15H17N3O2S2/c1-3-20-15(19)13-12(11(6-16)14(17)22-13)8-18(2)7-10-4-5-21-9-10/h4-5,9H,3,7-8,17H2,1-2H3/p+1