[(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-16(29-24(28)18-7-3-2-4-8-18)23(27)25-19-13-11-17(12-14-19)15-22-26-20-9-5-6-10-21(20)30-22/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1