ethyl 4-cyano-5-[2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-[(3-cyano-6-isobutyl-2-pyridyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C23H26N4O3S2/c1-6-18(31-21-15(11-24)8-9-16(26-21)10-13(3)4)20(28)27-22-17(12-25)14(5)19(32-22)23(29)30-7-2/h8-9,13,18H,6-7,10H2,1-5H3,(H,27,28)