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

Systemtic Name: ethyl 2-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H28N2O6S2/c1-6-30-22(27)20-14(2)16(4)31-21(20)23-19(26)8-7-13-24(5)32(28,29)18-11-9-17(10-12-18)15(3)25/h9-12H,6-8,13H2,1-5H3,(H,23,26)