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

Systemtic Name: ethyl 4-cyano-5-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-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-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N)C#N)C

InChI

InChI=1S/C21H20N4O3S2/c1-3-28-21(27)18-12(2)15(10-23)20(30-18)25-17(26)11-29-19-14(9-22)8-13-6-4-5-7-16(13)24-19/h8H,3-7,11H2,1-2H3,(H,25,26)