[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)CO

Isomeric SMILES

CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C18H25NO6S/c1-3-13(2)19(16-8-9-26(23,24)12-16)17(21)11-25-18(22)15-6-4-14(10-20)5-7-15/h4-7,13,16,20H,3,8-12H2,1-2H3/t13-,16-/m0/s1