ethyl 4-cyano-5-[2-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H23N5O3S2 MolecularWeight: 505.61182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=C(C=C2)C3=NC4=C(N3)C=C(C(=C4)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=C(C=C2)C3=NC4=C(N3)C=C(C(=C4)C)C)C#N)C

InChI

InChI=1S/C25H23N5O3S2/c1-5-33-25(32)22-15(4)17(10-26)24(35-22)30-20(31)12-34-21-7-6-16(11-27-21)23-28-18-8-13(2)14(3)9-19(18)29-23/h6-9,11H,5,12H2,1-4H3,(H,28,29)(H,30,31)