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

Systemtic Name: 5-(dioctylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(dioctylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(dioctylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(dioctylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(dioctylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C32H57N3O4S MolecularWeight: 579.87768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CCCCCCCC)CCCCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(CCCCCCCC)CCCCCCCC)C)C(=O)O

InChI

InChI=1S/C32H57N3O4S/c1-5-8-11-14-17-20-23-33-32(39)34-29-27(31(37)38)26(4)28(40-29)30(36)35(24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3,(H,37,38)(H2,33,34,39)