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

Systemtic Name: ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4-[(methoxycarbonylamino)-oxomethyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate Traditional Name: 5-(4-besylbutanoylamino)-4-(carbomethoxycarbamoyl)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8S2/c1-4-31-20(26)17-13(2)16(18(25)23-21(27)30-3)19(32-17)22-15(24)11-8-12-33(28,29)14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,22,24)(H,23,25,27)