[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17N3O6S/c1-12(19(24)21-13-6-2-4-8-15(13)22(25)26)28-18(23)11-27-10-17-20-14-7-3-5-9-16(14)29-17/h2-9,12H,10-11H2,1H3,(H,21,24)/t12-/m1/s1