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

Systemtic Name: butyl 4-[3-(2-azanylethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[3-(2-aminoethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(2-aminoethylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(2-aminoethylthio)-2,5-diketo-pyrrolidino]benzoic acid butyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-2-3-9-23-17(22)12-4-6-13(7-5-12)19-15(20)11-14(16(19)21)24-10-8-18/h4-7,14H,2-3,8-11,18H2,1H3