methyl 3-acetamido-4,9-bis(oxidanylidene)benzo[f][1]benzothiole-2-carboxylate

Systemtic Name: methyl 3-acetamido-4,9-bis(oxidanylidene)benzo[f][1]benzothiole-2-carboxylate Openeye Name: methyl 3-acetamido-4,9-dioxo-benzo[f]benzothiophene-2-carboxylate CAS Name: 3-acetamido-4,9-dioxo-2-benzo[f][1]benzothiolecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4,9-dioxobenzo[f][1]benzothiole-2-carboxylate Traditional Name: 3-acetamido-4,9-diketo-benzo[f]benzothiophene-2-carboxylic acid methyl ester Formula: C16H11NO5S MolecularWeight: 329.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C16H11NO5S/c1-7(18)17-11-10-12(19)8-5-3-4-6-9(8)13(20)14(10)23-15(11)16(21)22-2/h3-6H,1-2H3,(H,17,18)