ethyl 2-[[(E)-3-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-[5-(4-chloro-2-nitrophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-2-cyano-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H20ClN3O6S MolecularWeight: 525.9608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C25H20ClN3O6S/c1-2-34-25(31)22-18-5-3-4-6-21(18)36-24(22)28-23(30)14(13-27)11-16-8-10-20(35-16)17-9-7-15(26)12-19(17)29(32)33/h7-12H,2-6H2,1H3,(H,28,30)/b14-11+