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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S2/c1-3-5-13(2)19-16(20)12-22-17(21)14-6-8-15(9-7-14)18-23-10-4-11-24-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,19,20)/t13-/m0/s1