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

Systemtic Name: ethyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H23N5O3S3 MolecularWeight: 537.67682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

InChI

InChI=1S/C25H23N5O3S3/c1-2-33-25(32)21-15-5-3-4-6-18(15)36-24(21)29-19(31)8-10-35-23-17(12-27)20(14-7-9-34-13-14)16(11-26)22(28)30-23/h7,9,13H,2-6,8,10H2,1H3,(H2,28,30)(H,29,31)