ethyl 5-ethyl-2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C21H28N2O6S2/c1-5-16-14-18(21(25)29-6-2)20(30-16)22-19(24)8-7-13-23(3)31(26,27)17-11-9-15(28-4)10-12-17/h9-12,14H,5-8,13H2,1-4H3,(H,22,24)