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

Systemtic Name: ethyl 2-[2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H21N5O3S3 MolecularWeight: 523.65024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

InChI

InChI=1S/C24H21N5O3S3/c1-2-32-24(31)20-13-6-3-4-7-16(13)35-23(20)28-18(30)12-34-22-15(11-26)19(17-8-5-9-33-17)14(10-25)21(27)29-22/h5,8-9H,2-4,6-7,12H2,1H3,(H2,27,29)(H,28,30)