4-methyl-5-octoxycarbonyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-5-octoxycarbonyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 4-methyl-5-octoxycarbonyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[octoxy(oxo)methyl]-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-octoxycarbonyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 4-methyl-5-octoxycarbonyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C24H40N2O5S MolecularWeight: 468.6498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCCCCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCCCCCCCC)C)C(=O)O

InChI

InChI=1S/C24H40N2O5S/c1-4-6-8-10-12-14-16-25-24(30)26-21-19(22(27)28)18(3)20(32-21)23(29)31-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,27,28)(H2,25,26,30)