ethyl 6-[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C27H21N3O5S/c1-4-35-27(34)21-11-16(13-28)26(29-14(21)2)36-15(3)25(33)30-17-9-10-20-22(12-17)24(32)19-8-6-5-7-18(19)23(20)31/h5-12,15H,4H2,1-3H3,(H,30,33)