ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-4-(ethoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4-[(ethoxycarbonylamino)-oxomethyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-4-(ethoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate Traditional Name: 5-(4-besylbutanoylamino)-4-(carbethoxycarbamoyl)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O8S2 MolecularWeight: 510.58044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O8S2/c1-4-31-21(27)18-14(3)17(19(26)24-22(28)32-5-2)20(33-18)23-16(25)12-9-13-34(29,30)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,23,25)(H,24,26,28)