ethyl 5-azanyl-4-cyano-3-[[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[(R)-p-tolyl(2-thienyl)methyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[(R)-p-tolyl(2-thienyl)methyl]amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC(C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN[C@H](C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C21H21N3O2S2/c1-3-26-21(25)19-16(15(11-22)20(23)28-19)12-24-18(17-5-4-10-27-17)14-8-6-13(2)7-9-14/h4-10,18,24H,3,12,23H2,1-2H3/t18-/m1/s1