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

Systemtic Name: ethyl 4-cyano-5-[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]-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)CCSC2=NC3=C(CCCC3)C=C2C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N)C#N)C

InChI

InChI=1S/C22H22N4O3S2/c1-3-29-22(28)19-13(2)16(12-24)21(31-19)26-18(27)8-9-30-20-15(11-23)10-14-6-4-5-7-17(14)25-20/h10H,3-9H2,1-2H3,(H,26,27)