[4-[2-azanyl-3-cyano-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[2-azanyl-3-cyano-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate Openeye Name: [4-[2-amino-3-cyano-7-(2-furyl)-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[2-amino-3-cyano-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl] ester IUPAC Name: [4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitrophenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[2-amino-3-cyano-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenyl] ester Formula: C27H21N3O8S MolecularWeight: 547.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)[N+](=O)[O-])C3C(=C(OC4=C3C(=O)CC(C4)C5=CC=CO5)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)[N+](=O)[O-])C3C(=C(OC4=C3C(=O)CC(C4)C5=CC=CO5)N)C#N

InChI

InChI=1S/C27H21N3O8S/c1-2-35-21-12-15(9-17(30(33)34)25(21)38-27(32)22-6-4-8-39-22)23-16(13-28)26(29)37-20-11-14(10-18(31)24(20)23)19-5-3-7-36-19/h3-9,12,14,23H,2,10-11,29H2,1H3