2-[3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl-(2-oxidanylidenebutyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-[3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl-(2-oxidanylidenebutyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-[(5-chlorobenzothiophen-2-yl)sulfonyl-(2-oxobutyl)amino]-2-oxo-pyrrolidin-1-yl]propanoic acid CAS Name: 2-[3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl-(2-oxobutyl)amino]-2-oxo-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl-(2-oxobutyl)amino]-2-oxopyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-[(5-chlorobenzothiophen-2-yl)sulfonyl-(2-ketobutyl)amino]-2-keto-pyrrolidino]propionic acid Formula: C19H21ClN2O6S2 MolecularWeight: 472.96284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN(C1CCN(C1=O)C(C)C(=O)O)S(=O)(=O)C2=CC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCC(=O)CN(C1CCN(C1=O)C(C)C(=O)O)S(=O)(=O)C2=CC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C19H21ClN2O6S2/c1-3-14(23)10-22(15-6-7-21(18(15)24)11(2)19(25)26)30(27,28)17-9-12-8-13(20)4-5-16(12)29-17/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3,(H,25,26)