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

Systemtic Name: (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-methoxy-1-methyl-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-1-[(1R)-2-methoxy-1-methyl-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-9(8-25-2)19-7-10(5-14(19)21)15(22)18-16-17-12-4-3-11(20(23)24)6-13(12)26-16/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18,22)/t9-,10+/m1/s1