4-[2-[4-ethoxycarbonyl-5-(sulfanylidenemethylidene)pyrrolidin-3-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-ethoxycarbonyl-5-(sulfanylidenemethylidene)pyrrolidin-3-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-ethoxycarbonyl-5-(thioxomethylene)pyrrolidin-3-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-ethoxycarbonyl-5-(sulfanylidenemethylidene)-3-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-ethoxycarbonyl-5-(sulfanylidenemethylidene)pyrrolidin-3-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-carbethoxy-5-(thioxomethylene)pyrrolidin-3-yl]ethyl]benzoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1=C=S)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1C(CNC1=C=S)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H19NO4S/c1-2-22-17(21)15-13(9-18-14(15)10-23)8-5-11-3-6-12(7-4-11)16(19)20/h3-4,6-7,13,15,18H,2,5,8-9H2,1H3,(H,19,20)