[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C23H19ClN2O3S2 MolecularWeight: 470.99156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C)C

InChI

InChI=1S/C23H19ClN2O3S2/c1-13-8-9-18(14(2)10-13)26(15(3)27)23-25-16(12-30-23)11-29-22(28)21-20(24)17-6-4-5-7-19(17)31-21/h4-10,12H,11H2,1-3H3