ethyl 2-[[(2S)-2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanylpropanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanylpropanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)sulfanyl]propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)thio]propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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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)C(C)(C)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H](C)SC2=C(C(=CC(=N2)C(C)(C)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H31N3O3S2/c1-8-34-27(33)23-16(2)17(3)35-26(23)31-24(32)18(4)36-25-21(15-29)20(19-12-10-9-11-13-19)14-22(30-25)28(5,6)7/h9-14,18H,8H2,1-7H3,(H,31,32)/t18-/m0/s1