ethyl 2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H27N3O3S2 MolecularWeight: 541.68368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H27N3O3S2/c1-5-36-30(35)26-18(2)19(3)37-29(26)33-27(34)20(4)38-28-24(17-31)23(21-12-8-6-9-13-21)16-25(32-28)22-14-10-7-11-15-22/h6-16,20H,5H2,1-4H3,(H,33,34)