[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C18H25NO3S2 MolecularWeight: 367.526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C18H25NO3S2/c1-12(2)13(3)19-16(20)11-22-17(21)14-5-7-15(8-6-14)18-23-9-4-10-24-18/h5-8,12-13,18H,4,9-11H2,1-3H3,(H,19,20)/t13-/m0/s1