ethyl 1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidine-3-carboxylate CAS Name: 1-[(E)-3-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]pyrrolidine-3-carboxylate Traditional Name: 1-[(E)-3-(4-mercapto-3-nitro-phenyl)acryloyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C1)C(=O)C=CC2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-2-23-16(20)12-7-8-17(10-12)15(19)6-4-11-3-5-14(24)13(9-11)18(21)22/h3-6,9,12,24H,2,7-8,10H2,1H3/b6-4+