4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[(octylamino)-oxomethyl]-2-[[oxo-(tetradecylamino)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-(octylcarbamoyl)-2-(tetradecylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(myristylcarbamoylamino)-5-(octylcarbamoyl)-3-thenoic acid Formula: C30H53N3O4S MolecularWeight: 551.82452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCCCCCC)C)C(=O)O

InChI

InChI=1S/C30H53N3O4S/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-32-30(37)33-28-25(29(35)36)24(3)26(38-28)27(34)31-22-20-18-11-9-7-5-2/h4-23H2,1-3H3,(H,31,34)(H,35,36)(H2,32,33,37)