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

Systemtic Name: pentyl 1-azanyl-4-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)SC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCOC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)SC4=CC=C(C=C4)C

InChI

InChI=1S/C27H25NO4S/c1-3-4-7-14-32-27(31)20-15-21(33-17-12-10-16(2)11-13-17)22-23(24(20)28)26(30)19-9-6-5-8-18(19)25(22)29/h5-6,8-13,15H,3-4,7,14,28H2,1-2H3