methyl 6-chloranyl-5-[(4-methylphenyl)amino]-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-chloranyl-5-[(4-methylphenyl)amino]-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-chloro-5-(4-methylanilino)-4,7-dioxo-benzothiophene-2-carboxylate CAS Name: 6-chloro-5-(4-methylanilino)-4,7-dioxo-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-5-(4-methylanilino)-4,7-dioxo-1-benzothiophene-2-carboxylate Traditional Name: 6-chloro-4,7-diketo-5-(p-toluidino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H12ClNO4S MolecularWeight: 361.79948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO4S/c1-8-3-5-9(6-4-8)19-13-12(18)15(21)16-10(14(13)20)7-11(24-16)17(22)23-2/h3-7,19H,1-2H3