dimethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enedioate

Systemtic Name: dimethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enedioate Openeye Name: dimethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enedioate CAS Name: (E)-2-[(2-nitrophenyl)thio]-3-(1-pyrrolidinyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-ylbut-2-enedioate Traditional Name: (E)-2-[(2-nitrophenyl)thio]-3-pyrrolidino-but-2-enedioic acid dimethyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)SC1=CC=CC=C1[N+](=O)[O-])N2CCCC2

Isomeric SMILES

COC(=O)/C(=C(/C(=O)OC)\SC1=CC=CC=C1[N+](=O)[O-])/N2CCCC2

InChI

InChI=1S/C16H18N2O6S/c1-23-15(19)13(17-9-5-6-10-17)14(16(20)24-2)25-12-8-4-3-7-11(12)18(21)22/h3-4,7-8H,5-6,9-10H2,1-2H3/b14-13+