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

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methylpropanoate Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic acid [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-13(2)21(25)26-14(3)20(24)22-16-10-8-15(9-11-16)12-19-23-17-6-4-5-7-18(17)27-19/h4-11,13-14H,12H2,1-3H3,(H,22,24)/t14-/m1/s1