methyl 1-azanyl-4-(4-chlorophenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: methyl 1-azanyl-4-(4-chlorophenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: methyl 1-amino-4-(4-chlorophenyl)sulfanyl-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-[(4-chlorophenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid methyl ester IUPAC Name: methyl 1-amino-4-(4-chlorophenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-4-[(4-chlorophenyl)thio]-9,10-diketo-anthracene-2-carboxylic acid methyl ester Formula: C22H14ClNO4S MolecularWeight: 423.86886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClNO4S/c1-28-22(27)15-10-16(29-12-8-6-11(23)7-9-12)17-18(19(15)24)21(26)14-5-3-2-4-13(14)20(17)25/h2-10H,24H2,1H3