ethyl 5-azanyl-3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN[C@@H](C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-3-23-17(22)15-14(13(8-19)16(20)24-15)9-21-10(2)11-4-6-12(18)7-5-11/h4-7,10,21H,3,9,20H2,1-2H3/t10-/m0/s1