3-[3-ethylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[3-ethylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-(3-ethylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)-4-methyl-benzoic acid CAS Name: 3-[3-(ethylthio)-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid Traditional Name: 3-[3-(ethylthio)-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C14H15NO4S MolecularWeight: 293.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1CC(=O)N(C1=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCSC1CC(=O)N(C1=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H15NO4S/c1-3-20-11-7-12(16)15(13(11)17)10-6-9(14(18)19)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,18,19)