[(2R)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate

Systemtic Name: [(2R)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate Openeye Name: [(1R)-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [(2R)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [(1R)-2-keto-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]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)C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCOCC(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H22N2O4S/c1-4-26-12-19(24)27-14(3)20(25)22-16-8-6-15(7-9-16)21-23-17-10-5-13(2)11-18(17)28-21/h5-11,14H,4,12H2,1-3H3,(H,22,25)/t14-/m1/s1