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

Systemtic Name: 5-heptyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 5-heptyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 5-heptyl-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-heptyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-heptyl-2-(octoxycarbonylamino)-3-thenoic acid Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCCC)C(=O)O

InChI

InChI=1S/C21H35NO4S/c1-3-5-7-9-11-13-15-26-21(25)22-19-18(20(23)24)16-17(27-19)14-12-10-8-6-4-2/h16H,3-15H2,1-2H3,(H,22,25)(H,23,24)