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

Systemtic Name: 1-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-nitro-phenyl]ethanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c1-12(23)13-8-9-15(17(11-13)22(24)25)21-10-4-6-16(21)19-20-14-5-2-3-7-18(14)26-19/h2-3,5,7-9,11,16H,4,6,10H2,1H3/t16-/m1/s1