ethyl 4-cyano-5-[2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H18N4O3S4 MolecularWeight: 550.69542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C#N)C

InChI

InChI=1S/C25H18N4O3S4/c1-3-32-25(31)22-14(2)16(11-26)24(36-22)29-21(30)13-35-23-17(12-27)15(19-6-4-8-33-19)10-18(28-23)20-7-5-9-34-20/h4-10H,3,13H2,1-2H3,(H,29,30)