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

Systemtic Name: ethyl 4-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate CAS Name: 4-[(E)-3-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxylate Traditional Name: 4-[(E)-3-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-2-carboxylic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1)C(=O)C=CC2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CN(CCN1)C(=O)/C=C/C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-2-24-16(21)12-10-18(8-7-17-12)15(20)6-4-11-3-5-14(25)13(9-11)19(22)23/h3-6,9,12,17,25H,2,7-8,10H2,1H3/b6-4+