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

Systemtic Name: 2-[(3S)-1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3S)-1-(2-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1-(2-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3S)-1-(2-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-1-(2-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoate Formula: C21H20NO5S- MolecularWeight: 398.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C21H21NO5S/c1-2-3-12-27-16-10-6-5-9-15(16)22-19(23)13-18(20(22)24)28-17-11-7-4-8-14(17)21(25)26/h4-11,18H,2-3,12-13H2,1H3,(H,25,26)/p-1/t18-/m0/s1