1-(furan-2-yl)-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(furan-2-yl)-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(2-furyl)-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethane-1,2-dione CAS Name: 1-(2-furanyl)-2-[4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(furan-2-yl)-2-[4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazin-1-yl]ethane-1,2-dione Traditional Name: 1-(2-furyl)-2-[4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazino]ethane-1,2-dione Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C(=O)C3=CC=CO3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H17N3O6S/c1-12(13-4-5-16(29)14(11-13)22(26)27)18(24)20-6-8-21(9-7-20)19(25)17(23)15-3-2-10-28-15/h2-5,10-11,29H,1,6-9H2