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

Systemtic Name: ethyl 4-cyano-5-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H22N4O3S2 MolecularWeight: 454.56508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CC(CC3)C)C=C2C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CC(CC3)C)C=C2C#N)C#N)C

InChI

InChI=1S/C22H22N4O3S2/c1-4-29-22(28)19-13(3)16(10-24)21(31-19)26-18(27)11-30-20-15(9-23)8-14-7-12(2)5-6-17(14)25-20/h8,12H,4-7,11H2,1-3H3,(H,26,27)