2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylic acid Openeye Name: 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylic acid CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-(5-phenylpentyl)-3-thiophenecarboxylic acid IUPAC Name: 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylic acid Traditional Name: 2-(octoxycarbonylamino)-5-(5-phenylpentyl)-3-thenoic acid Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H35NO4S/c1-2-3-4-5-6-13-18-30-25(29)26-23-22(24(27)28)19-21(31-23)17-12-8-11-16-20-14-9-7-10-15-20/h7,9-10,14-15,19H,2-6,8,11-13,16-18H2,1H3,(H,26,29)(H,27,28)