[4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/C#N

InChI

InChI=1S/C25H19N3O6S/c1-3-32-17-7-8-18-22(13-17)35-25(27-18)28-23(29)16(14-26)11-15-6-9-19(21(12-15)31-2)34-24(30)20-5-4-10-33-20/h4-13H,3H2,1-2H3,(H,27,28,29)/b16-11+