(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[[(4R)-6-chloranyl-4,8-bis(oxidanyl)-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-4-yl]carbonyl]azetidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[[(4R)-6-chloranyl-4,8-bis(oxidanyl)-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-4-yl]carbonyl]azetidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(4R)-6-chloro-4,8-dihydroxy-1,1-dioxo-2,3-dihydrothiochromene-4-carbonyl]azetidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[[(4R)-6-chloro-4,8-dihydroxy-1,1-dioxo-2,3-dihydro-1-benzothiopyran-4-yl]-oxomethyl]-2-azetidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(4R)-6-chloro-4,8-dihydroxy-1,1-dioxo-2,3-dihydrothiochromene-4-carbonyl]azetidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[(4R)-6-chloro-4,8-dihydroxy-1,1-diketo-2,3-dihydrothiochromene-4-carbonyl]azetidine-2-carboxamide Formula: C22H23ClN4O6S MolecularWeight: 506.95922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C3(CCS(=O)(=O)C4=C(C=C(C=C43)Cl)O)O

Isomeric SMILES

C1CN([C@@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)[C@]3(CCS(=O)(=O)C4=C(C=C(C=C43)Cl)O)O

InChI

InChI=1S/C22H23ClN4O6S/c23-14-9-15-18(17(28)10-14)34(32,33)8-6-22(15,31)21(30)27-7-5-16(27)20(29)26-11-12-1-3-13(4-2-12)19(24)25/h1-4,9-10,16,28,31H,5-8,11H2,(H3,24,25)(H,26,29)/t16-,22+/m0/s1