ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S2/c1-3-25-18(21)15-10-11-26-17(15)19-16(20)5-4-12-27(22,23)14-8-6-13(24-2)7-9-14/h6-11H,3-5,12H2,1-2H3,(H,19,20)