(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-pyrrolidino-propan-1-one Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3S2/c1-9(13(18)16-6-2-3-7-16)21-14-15-11-5-4-10(17(19)20)8-12(11)22-14/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m1/s1