dimethyl 2-[3-(2-azanylethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-(2-azanylethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-(2-aminoethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzene-1,4-dicarboxylate CAS Name: 2-[3-(2-aminoethylthio)-2,5-dioxo-1-pyrrolidinyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzene-1,4-dicarboxylate Traditional Name: 2-[3-(2-aminoethylthio)-2,5-diketo-pyrrolidino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S/c1-23-15(21)9-3-4-10(16(22)24-2)11(7-9)18-13(19)8-12(14(18)20)25-6-5-17/h3-4,7,12H,5-6,8,17H2,1-2H3