2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylic acid Openeye Name: 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylic acid CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-(4-phenylbutyl)-3-thiophenecarboxylic acid IUPAC Name: 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylic acid Traditional Name: 2-(octoxycarbonylamino)-5-(4-phenylbutyl)-3-thenoic acid Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H33NO4S/c1-2-3-4-5-6-12-17-29-24(28)25-22-21(23(26)27)18-20(30-22)16-11-10-15-19-13-8-7-9-14-19/h7-9,13-14,18H,2-6,10-12,15-17H2,1H3,(H,25,28)(H,26,27)