propyl 1-azanyl-4-(4-tert-butylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: propyl 1-azanyl-4-(4-tert-butylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: propyl 1-amino-4-(4-tert-butylphenyl)sulfanyl-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-[(4-tert-butylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid propyl ester IUPAC Name: propyl 1-amino-4-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-4-[(4-tert-butylphenyl)thio]-9,10-diketo-anthracene-2-carboxylic acid propyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO4S/c1-5-14-33-27(32)20-15-21(34-17-12-10-16(11-13-17)28(2,3)4)22-23(24(20)29)26(31)19-9-7-6-8-18(19)25(22)30/h6-13,15H,5,14,29H2,1-4H3