prop-1-en-2-yl 4-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: prop-1-en-2-yl 4-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: isopropenyl 4-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid 1-methylethenyl ester IUPAC Name: prop-1-en-2-yl 4-[(E)-3-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-1-carboxylic acid isopropenyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC(=C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-12(2)25-17(22)19-9-7-18(8-10-19)16(21)6-4-13-3-5-15(26)14(11-13)20(23)24/h3-6,11,26H,1,7-10H2,2H3/b6-4+