methyl 3-ethyl-2-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[(2R)-1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-[(2R)-1-thiophen-2-ylsulfonyl-2-pyrrolidinyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[(2R)-1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O5S3/c1-3-22-14-9-8-13(19(25)28-2)12-16(14)30-20(22)21-18(24)15-6-4-10-23(15)31(26,27)17-7-5-11-29-17/h5,7-9,11-12,15H,3-4,6,10H2,1-2H3/t15-/m1/s1