[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-13(24)15-7-9-16(10-8-15)22-21(26)14(2)28-20(25)12-27-11-19-23-17-5-3-4-6-18(17)29-19/h3-10,14H,11-12H2,1-2H3,(H,22,26)/t14-/m1/s1