2-[(3S)-1-(4-dimethylaminophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: 2-[(3S)-1-(4-dimethylaminophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3S)-1-(4-dimethylaminophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1-(4-dimethylaminophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3S)-1-(4-dimethylaminophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-1-(4-dimethylaminophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoate Formula: C19H17N2O4S- MolecularWeight: 369.41428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H18N2O4S/c1-20(2)12-7-9-13(10-8-12)21-17(22)11-16(18(21)23)26-15-6-4-3-5-14(15)19(24)25/h3-10,16H,11H2,1-2H3,(H,24,25)/p-1/t16-/m0/s1