2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-2,5-diketo-1-piperonyl-pyrrolidin-3-yl]thio]benzoate Formula: C19H14NO6S- MolecularWeight: 384.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CC2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)CC2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C19H15NO6S/c21-17-8-16(27-15-4-2-1-3-12(15)19(23)24)18(22)20(17)9-11-5-6-13-14(7-11)26-10-25-13/h1-7,16H,8-10H2,(H,23,24)/p-1/t16-/m0/s1