methyl 4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC2=CC=CC=C21)C(=O)OC)O)C3CCS(=O)(=O)C3

Isomeric SMILES

CN(CC1=C(C(=CC2=CC=CC=C21)C(=O)OC)O)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H21NO5S/c1-19(13-7-8-25(22,23)11-13)10-16-14-6-4-3-5-12(14)9-15(17(16)20)18(21)24-2/h3-6,9,13,20H,7-8,10-11H2,1-2H3/t13-/m0/s1