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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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