ethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enoate

Systemtic Name: ethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enoate Openeye Name: ethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-yl-but-2-enoate CAS Name: (E)-2-[(2-nitrophenyl)thio]-3-(1-pyrrolidinyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-nitrophenyl)sulfanyl-3-pyrrolidin-1-ylbut-2-enoate Traditional Name: (E)-2-[(2-nitrophenyl)thio]-3-pyrrolidino-but-2-enoic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)N1CCCC1)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C(/C)\N1CCCC1)/SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4S/c1-3-22-16(19)15(12(2)17-10-6-7-11-17)23-14-9-5-4-8-13(14)18(20)21/h4-5,8-9H,3,6-7,10-11H2,1-2H3/b15-12+