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

Systemtic Name: pentyl 1-azanyl-4-(4-methoxycarbonylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: pentyl 1-amino-4-(4-methoxycarbonylphenyl)sulfanyl-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-[(4-methoxycarbonylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid pentyl ester IUPAC Name: pentyl 1-amino-4-(4-methoxycarbonylphenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-4-[(4-carbomethoxyphenyl)thio]-9,10-diketo-anthracene-2-carboxylic acid amyl ester Formula: C28H25NO6S MolecularWeight: 503.5662

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO6S/c1-3-4-7-14-35-28(33)20-15-21(36-17-12-10-16(11-13-17)27(32)34-2)22-23(24(20)29)26(31)19-9-6-5-8-18(19)25(22)30/h5-6,8-13,15H,3-4,7,14,29H2,1-2H3