[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO4S/c1-12(19(23)22-11-13-7-9-14(25-2)10-8-13)26-20(24)18-17(21)15-5-3-4-6-16(15)27-18/h3-10,12H,11H2,1-2H3,(H,22,23)/t12-/m1/s1