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

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic 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] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-3-26-13-20(24)27-14(2)21(25)22-16-10-8-15(9-11-16)12-19-23-17-6-4-5-7-18(17)28-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)/t14-/m1/s1