[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H18ClNO6S2 MolecularWeight: 443.92162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H18ClNO6S2/c1-25-14-5-4-12(10-16(14)28(23,24)20-8-2-3-9-20)18(22)26-11-13(21)15-6-7-17(19)27-15/h4-7,10H,2-3,8-9,11H2,1H3