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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(diphenylmethyl)azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-benzhydryl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-(diphenylmethyl)ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-benzhydrylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-benzhydryl-ammonium Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-2-27-22(26)20-18(17(13-23)21(24)28-20)14-25-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,25H,2,14,24H2,1H3/p+1