[(1R)-1-(3-nitrophenyl)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O4S/c1-14(15-7-6-8-16(13-15)22(24)25)26-20(23)12-5-4-11-19-21-17-9-2-3-10-18(17)27-19/h2-3,6-10,13-14H,4-5,11-12H2,1H3/t14-/m1/s1