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

Systemtic Name: 2-[1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(2-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

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)CC(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)