(3S)-1-(2,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C21H21N3O6S2/c1-29-13-4-7-16(17(9-13)30-2)24-11-12(8-19(24)25)20(26)23-21-22-15-6-5-14(32(3,27)28)10-18(15)31-21/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,23,26)/t12-/m0/s1