8-acetamido-13-methyl-14,16-bis(oxidanyl)-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid

Systemtic Name: 8-acetamido-13-methyl-14,16-bis(oxidanyl)-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid Openeye Name: 8-acetamido-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid CAS Name: 8-acetamido-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid IUPAC Name: 8-acetamido-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid Traditional Name: 8-acetamido-14,16-dihydroxy-7,11-diketo-13-methyl-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxylic acid Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)OCC(C(=O)NC(CSC2)C(=O)O)NC(=O)C)O)O

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)OCC(C(=O)NC(CSC2)C(=O)O)NC(=O)C)O)O

InChI

InChI=1S/C17H20N2O8S/c1-7-12(21)3-13(22)9-5-28-6-11(16(24)25)19-15(23)10(18-8(2)20)4-27-17(26)14(7)9/h3,10-11,21-22H,4-6H2,1-2H3,(H,18,20)(H,19,23)(H,24,25)