ethyl 5-[[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[(2R)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[(2R)-1-(4-chlorophenyl)sulfonylprolyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O5S2/c1-2-30-22(27)20-13-14-12-16(7-10-19(14)31-20)24-21(26)18-4-3-11-25(18)32(28,29)17-8-5-15(23)6-9-17/h5-10,12-13,18H,2-4,11H2,1H3,(H,24,26)/t18-/m1/s1