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

Systemtic Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23FN2O5S2 MolecularWeight: 442.524723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C19H23FN2O5S2/c1-12-13(2)28-18(17(12)19(24)27-4)21-16(23)6-5-11-22(3)29(25,26)15-9-7-14(20)8-10-15/h7-10H,5-6,11H2,1-4H3,(H,21,23)