ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)-oxomethyl]-5-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbethoxycarbamoyl)-5-[4-[(4-methoxyphenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H28N2O7S2 MolecularWeight: 508.60762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=C(C=C2)OC)C(=O)NC(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=C(C=C2)OC)C(=O)NC(=O)OCC)C

InChI

InChI=1S/C23H28N2O7S2/c1-5-31-22(28)19-14(3)18(20(27)25-23(29)32-6-2)21(34-19)24-17(26)8-7-13-33-16-11-9-15(30-4)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,24,26)(H,25,27,29)