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

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] propanoate Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-3-19(23)25-13(2)20(24)21-15-10-8-14(9-11-15)12-18-22-16-6-4-5-7-17(16)26-18/h4-11,13H,3,12H2,1-2H3,(H,21,24)/t13-/m1/s1