9-tert-butyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)-7-oxidanyl-7-oxidanylidene-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene-4-carboxylic acid

Systemtic Name: 9-tert-butyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)-7-oxidanyl-7-oxidanylidene-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene-4-carboxylic acid Openeye Name: 9-tert-butyl-3-(3,3-dimethyl-2-oxo-butyl)-7-hydroxy-7-oxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene-4-carboxylic acid CAS Name: 9-tert-butyl-3-(3,3-dimethyl-2-oxobutyl)-7-hydroxy-7-oxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene-4-carboxylic acid IUPAC Name: 9-tert-butyl-3-(3,3-dimethyl-2-oxobutyl)-7-hydroxy-7-oxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene-4-carboxylic acid Traditional Name: 9-tert-butyl-7-hydroxy-7-keto-3-(2-keto-3,3-dimethyl-butyl)-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene-4-carboxylic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NS(=C2C=C(C(=CC2=C1)CC(=O)C(C)(C)C)C(=O)O)(=O)O

Isomeric SMILES

CC(C)(C)C1=NS(=C2C=C(C(=CC2=C1)CC(=O)C(C)(C)C)C(=O)O)(=O)O

InChI

InChI=1S/C19H25NO5S/c1-18(2,3)15-8-12-7-11(9-16(21)19(4,5)6)13(17(22)23)10-14(12)26(24,25)20-15/h7-8,10H,9H2,1-6H3,(H,22,23)(H,20,24,25)