methyl 5-[(4-methylphenyl)amino]-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-methylphenyl)amino]-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-(4-methylanilino)-4,7-dioxo-benzothiophene-2-carboxylate CAS Name: 5-(4-methylanilino)-4,7-dioxo-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylanilino)-4,7-dioxo-1-benzothiophene-2-carboxylate Traditional Name: 4,7-diketo-5-(p-toluidino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H13NO4S MolecularWeight: 327.35442

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO4S/c1-9-3-5-10(6-4-9)18-12-8-13(19)16-11(15(12)20)7-14(23-16)17(21)22-2/h3-8,18H,1-2H3