2-[(3S)-1-(3-carboxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(3S)-1-(3-carboxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[(3S)-1-(3-carboxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[(3S)-1-(3-carboxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[(3S)-1-(3-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[(3S)-1-(3-carboxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C18H13NO6S MolecularWeight: 371.36392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H13NO6S/c20-15-9-14(26-13-7-2-1-6-12(13)18(24)25)16(21)19(15)11-5-3-4-10(8-11)17(22)23/h1-8,14H,9H2,(H,22,23)(H,24,25)/t14-/m0/s1