[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H16ClNO3S2 MolecularWeight: 405.91824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClNO3S2/c1-11(18(22)21-13-8-4-6-10-15(13)25-2)24-19(23)17-16(20)12-7-3-5-9-14(12)26-17/h3-11H,1-2H3,(H,21,22)/t11-/m1/s1