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

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] butanoate Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric 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:

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

Isomeric SMILES

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

InChI

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