2-(hydroxymethyl)-5-[(4-methylphenyl)amino]-1-benzothiophene-4,7-dione

Systemtic Name: 2-(hydroxymethyl)-5-[(4-methylphenyl)amino]-1-benzothiophene-4,7-dione Openeye Name: 2-(hydroxymethyl)-5-(4-methylanilino)benzothiophene-4,7-dione CAS Name: 2-(hydroxymethyl)-5-(4-methylanilino)-1-benzothiophene-4,7-dione IUPAC Name: 2-(hydroxymethyl)-5-(4-methylanilino)-1-benzothiophene-4,7-dione Traditional Name: 2-methylol-5-(p-toluidino)benzothiophene-4,7-quinone Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=C(S3)CO

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=C(S3)CO

InChI

InChI=1S/C16H13NO3S/c1-9-2-4-10(5-3-9)17-13-7-14(19)16-12(15(13)20)6-11(8-18)21-16/h2-7,17-18H,8H2,1H3