ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-p-phenetylsulfonylprolyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O6S2 MolecularWeight: 506.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C24H30N2O6S2/c1-3-31-16-11-13-17(14-12-16)34(29,30)26-15-7-9-19(26)22(27)25-23-21(24(28)32-4-2)18-8-5-6-10-20(18)33-23/h11-14,19H,3-10,15H2,1-2H3,(H,25,27)