[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C25H18N2O3S/c26-13-14-31-22-12-6-5-11-21(22)27-23(28)16-30-25(29)24-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)24/h1-12,15H,14,16H2,(H,27,28)