4-(4-but-2-ynoxyphenyl)sulfanyl-1-methyl-5-(oxidanylcarbamoyl)-3-(pentylcarbamoyl)pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfanyl-1-methyl-5-(oxidanylcarbamoyl)-3-(pentylcarbamoyl)pyrrole-2-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfanyl-5-(hydroxycarbamoyl)-1-methyl-3-(pentylcarbamoyl)pyrrole-2-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)thio]-5-[(hydroxyamino)-oxomethyl]-1-methyl-3-[oxo-(pentylamino)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfanyl-5-(hydroxycarbamoyl)-1-methyl-3-(pentylcarbamoyl)pyrrole-2-carboxylic acid Traditional Name: 3-(amylcarbamoyl)-4-[(4-but-2-ynoxyphenyl)thio]-5-(hydroxycarbamoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(N(C(=C1SC2=CC=C(C=C2)OCC#CC)C(=O)NO)C)C(=O)O

Isomeric SMILES

CCCCCNC(=O)C1=C(N(C(=C1SC2=CC=C(C=C2)OCC#CC)C(=O)NO)C)C(=O)O

InChI

InChI=1S/C23H27N3O6S/c1-4-6-8-13-24-21(27)17-18(23(29)30)26(3)19(22(28)25-31)20(17)33-16-11-9-15(10-12-16)32-14-7-5-2/h9-12,31H,4,6,8,13-14H2,1-3H3,(H,24,27)(H,25,28)(H,29,30)