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

Systemtic Name: ethyl 2-[3-(3-cyano-6-propyl-pyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-cyano-6-propyl-2-pyridyl)thio]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C24H29N3O3S2/c1-4-6-17-9-8-16(14-25)22(26-17)31-12-11-20(28)27-23-21(24(29)30-5-2)18-10-7-15(3)13-19(18)32-23/h8-9,15H,4-7,10-13H2,1-3H3,(H,27,28)