ethyl 5-azanyl-4-cyano-3-[[(diphenylmethyl)amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(diphenylmethyl)amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(benzhydrylamino)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(diphenylmethyl)amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(benzhydrylamino)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(benzhydrylamino)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC(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