ethyl 4-cyano-5-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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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=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C23H24N4O3S2/c1-4-18(31-21-15(11-24)10-14-8-6-7-9-17(14)26-21)20(28)27-22-16(12-25)13(3)19(32-22)23(29)30-5-2/h10,18H,4-9H2,1-3H3,(H,27,28)