dimethyl 5-[[(E)-2-cyano-2-[4-(3-oxidanylidenebenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-2-cyano-2-[4-(3-oxidanylidenebenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-2-cyano-2-[4-(3-oxobenzo[f]chromen-2-yl)thiazol-2-yl]vinyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(E)-2-cyano-2-[4-(3-oxo-2-benzo[f][1]benzopyranyl)-2-thiazolyl]ethenyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-2-cyano-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-2-cyano-2-[4-(3-ketobenzo[f]chromen-2-yl)thiazol-2-yl]vinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C29H19N3O6S MolecularWeight: 537.54266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C(=O)OC

InChI

InChI=1S/C29H19N3O6S/c1-36-27(33)17-9-18(28(34)37-2)11-20(10-17)31-14-19(13-30)26-32-24(15-39-26)23-12-22-21-6-4-3-5-16(21)7-8-25(22)38-29(23)35/h3-12,14-15,31H,1-2H3/b19-14+