(3-chloranyl-1-benzothiophen-2-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClNO3S/c22-20-16-4-1-2-5-17(16)27-18(20)13-26-21(25)15-9-7-14(8-10-15)12-23-11-3-6-19(23)24/h1-2,4-5,7-10H,3,6,11-13H2