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

Systemtic Name: [(2S)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate Openeye Name: [(1S)-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(1S)-2-keto-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)OC(=O)CCC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)OC(=O)CCC(=O)C

InChI

InChI=1S/C22H22N2O4S/c1-13-4-10-18-19(12-13)29-22(24-18)16-6-8-17(9-7-16)23-21(27)15(3)28-20(26)11-5-14(2)25/h4,6-10,12,15H,5,11H2,1-3H3,(H,23,27)/t15-/m0/s1