(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-methoxy-1-methyl-ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-[(1R)-2-methoxy-1-methyl-ethyl]pyrrolidine-3-carboxamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H](COC)N1C[C@H](CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O5S2/c1-10(9-25-2)20-8-11(6-15(20)21)16(22)19-17-18-13-5-4-12(27(3,23)24)7-14(13)26-17/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,18,19,22)/t10-,11+/m1/s1