ethyl 4-[[(2S)-1-(2-oxidanylsulfonothioyloxyethylamino)propan-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-1-(2-oxidanylsulfonothioyloxyethylamino)propan-2-yl]amino]benzoate Openeye Name: ethyl 4-[[(1S)-2-(2-hydroxysulfonothioyloxyethylamino)-1-methyl-ethyl]amino]benzoate CAS Name: 4-[[(2S)-1-(2-hydroxysulfonothioyloxyethylamino)propan-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-1-(2-hydroxysulfonothioyloxyethylamino)propan-2-yl]amino]benzoate Traditional Name: 4-[[(1S)-2-(2-hydroxysulfonothioyloxyethylamino)-1-methyl-ethyl]amino]benzoic acid ethyl ester Formula: C14H22N2O5S2 MolecularWeight: 362.46488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C)CNCCOS(=O)(=S)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N[C@@H](C)CNCCOS(=O)(=S)O

InChI

InChI=1S/C14H22N2O5S2/c1-3-20-14(17)12-4-6-13(7-5-12)16-11(2)10-15-8-9-21-23(18,19)22/h4-7,11,15-16H,3,8-10H2,1-2H3,(H,18,19,22)/t11-/m0/s1