methyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanylpropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H29N5O3S3 MolecularWeight: 579.75656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

InChI

InChI=1S/C28H29N5O3S3/c1-28(2,3)15-7-8-16-20(12-15)39-26(23(16)27(35)36-4)32-21(34)9-11-38-25-18(14-30)22(19-6-5-10-37-19)17(13-29)24(31)33-25/h5-6,10,15H,7-9,11-12H2,1-4H3,(H2,31,33)(H,32,34)