methyl 2-[2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H17N3O3S3 MolecularWeight: 491.60508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

InChI

InChI=1S/C24H17N3O3S3/c1-30-24(29)15-6-2-3-7-18(15)26-22(28)14-33-23-17(13-25)16(20-8-4-10-31-20)12-19(27-23)21-9-5-11-32-21/h2-12H,14H2,1H3,(H,26,28)