[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClNO3S/c1-2-15(19(23)22-12-13-8-4-3-5-9-13)25-20(24)18-17(21)14-10-6-7-11-16(14)26-18/h3-11,15H,2,12H2,1H3,(H,22,23)/t15-/m1/s1