ethyl 5-[(2-ethylsulfanylphenyl)carbonylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2-ethylsulfanylphenyl)carbonylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-ethylsulfanylbenzoyl)amino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(ethylthio)phenyl]-oxomethyl]amino]-4-[(methoxycarbonylamino)-oxomethyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-ethylsulfanylbenzoyl)amino]-4-(methoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbomethoxycarbamoyl)-5-[[2-(ethylthio)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2SCC)C(=O)NC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2SCC)C(=O)NC(=O)OC)C

InChI

InChI=1S/C20H22N2O6S2/c1-5-28-19(25)15-11(3)14(17(24)22-20(26)27-4)18(30-15)21-16(23)12-9-7-8-10-13(12)29-6-2/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,24,26)