phenyl 1-azanyl-4-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: phenyl 1-azanyl-4-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: phenyl 1-amino-9,10-dioxo-4-(p-tolylsulfanyl)anthracene-2-carboxylate CAS Name: 1-amino-4-[(4-methylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid phenyl ester IUPAC Name: phenyl 1-amino-4-(4-methylphenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-4-(p-tolylthio)anthracene-2-carboxylic acid phenyl ester Formula: C28H19NO4S MolecularWeight: 465.51976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C(C(=C2)C(=O)OC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C(C(=C2)C(=O)OC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C28H19NO4S/c1-16-11-13-18(14-12-16)34-22-15-21(28(32)33-17-7-3-2-4-8-17)25(29)24-23(22)26(30)19-9-5-6-10-20(19)27(24)31/h2-15H,29H2,1H3