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

Systemtic Name: ethyl 4-cyano-5-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(3-cyano-6-phenyl-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-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H26N4O3S2 MolecularWeight: 530.66104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C#N)C

InChI

InChI=1S/C28H26N4O3S2/c1-3-35-28(34)25-17(2)22(16-30)27(37-25)32-24(33)11-12-36-26-21(15-29)14-20-13-19(9-10-23(20)31-26)18-7-5-4-6-8-18/h4-8,14,19H,3,9-13H2,1-2H3,(H,32,33)