ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[4-[[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[4-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H22N4O6S2 MolecularWeight: 550.60608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N)C#N)C

InChI

InChI=1S/C26H22N4O6S2/c1-5-35-25(33)19-13(3)17(11-27)23(37-19)29-21(31)15-7-9-16(10-8-15)22(32)30-24-18(12-28)14(4)20(38-24)26(34)36-6-2/h7-10H,5-6H2,1-4H3,(H,29,31)(H,30,32)