6-chloranyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)amino]-1-benzothiophene-4,7-dione

Systemtic Name: 6-chloranyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)amino]-1-benzothiophene-4,7-dione Openeye Name: 6-chloro-2-(hydroxymethyl)-5-(4-methoxyanilino)benzothiophene-4,7-dione CAS Name: 6-chloro-2-(hydroxymethyl)-5-(4-methoxyanilino)-1-benzothiophene-4,7-dione IUPAC Name: 6-chloro-2-(hydroxymethyl)-5-(4-methoxyanilino)-1-benzothiophene-4,7-dione Traditional Name: 6-chloro-2-methylol-5-(p-anisidino)benzothiophene-4,7-quinone Formula: C16H12ClNO4S MolecularWeight: 349.78878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=C(S3)CO)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=C(S3)CO)Cl

InChI

InChI=1S/C16H12ClNO4S/c1-22-9-4-2-8(3-5-9)18-13-12(17)15(21)16-11(14(13)20)6-10(7-19)23-16/h2-6,18-19H,7H2,1H3