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

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C22H17ClN2O3S2 MolecularWeight: 456.96498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O3S2/c1-13-6-5-7-16(10-13)25(14(2)26)22-24-15(12-29-22)11-28-21(27)20-19(23)17-8-3-4-9-18(17)30-20/h3-10,12H,11H2,1-2H3