ethyl 2-azanyl-4-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2CCC#N)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2CCC#N)C(=O)NC)N

InChI

InChI=1S/C20H21N5O3S2/c1-3-28-19(27)15-12(16(18(26)23-2)30-17(15)22)11-29-20-24-13-7-4-5-8-14(13)25(20)10-6-9-21/h4-5,7-8H,3,6,10-11,22H2,1-2H3,(H,23,26)