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

Systemtic Name: 5-(3-methoxypropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(3-methoxypropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(3-methoxypropylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(3-methoxypropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(3-methoxypropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C20H33N3O5S MolecularWeight: 427.55812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O5S/c1-4-5-6-7-8-9-11-22-20(27)23-18-15(19(25)26)14(2)16(29-18)17(24)21-12-10-13-28-3/h4-13H2,1-3H3,(H,21,24)(H,25,26)(H2,22,23,27)