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

Systemtic Name: 5-(2-acetamidoethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(2-acetamidoethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(2-acetamidoethylamino)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(2-acetamidoethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(2-acetamidoethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5S/c1-4-5-6-7-8-9-10-23-20(29)24-18-15(19(27)28)13(2)16(30-18)17(26)22-12-11-21-14(3)25/h4-12H2,1-3H3,(H,21,25)(H,22,26)(H,27,28)(H2,23,24,29)