ethyl 6-tert-butyl-2-[3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-[(3-cyano-6-phenyl-2-pyridyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H33N3O3S2 MolecularWeight: 547.73132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H33N3O3S2/c1-5-36-29(35)26-22-13-12-21(30(2,3)4)17-24(22)38-28(26)33-25(34)15-16-37-27-20(18-31)11-14-23(32-27)19-9-7-6-8-10-19/h6-11,14,21H,5,12-13,15-17H2,1-4H3,(H,33,34)