[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-26-16-9-8-12(11-15(16)22(24)25)19(23)21-10-4-6-14(21)18-20-13-5-2-3-7-17(13)27-18/h2-3,5,7-9,11,14H,4,6,10H2,1H3/t14-/m1/s1