(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C23H12ClNO5S MolecularWeight: 449.86308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5)Cl

InChI

InChI=1S/C23H12ClNO5S/c24-20-16(23(28)29-11-12-10-17(30-25-12)18-6-3-9-31-18)8-7-15-19(20)22(27)14-5-2-1-4-13(14)21(15)26/h1-10H,11H2