ethyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(1-tosylprolyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N2O5S2/c1-3-32-25(29)23-20(16-22(33-23)18-8-5-4-6-9-18)26-24(28)21-10-7-15-27(21)34(30,31)19-13-11-17(2)12-14-19/h4-6,8-9,11-14,16,21H,3,7,10,15H2,1-2H3,(H,26,28)