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

Systemtic Name: 3-[3-(2-azanylethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(2-aminoethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-(2-aminoethylthio)-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-(2-aminoethylthio)-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SCCN

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)SCCN

InChI

InChI=1S/C14H16N2O4S/c1-8-2-3-9(14(19)20)6-10(8)16-12(17)7-11(13(16)18)21-5-4-15/h2-3,6,11H,4-5,7,15H2,1H3,(H,19,20)