4-methyl-2-(octylcarbamoylamino)-5-(1,3-thiazol-2-ylcarbamoyl)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(1,3-thiazol-2-ylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-(thiazol-2-ylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(2-thiazolylamino)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(1,3-thiazol-2-ylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(thiazol-2-ylcarbamoyl)-3-thenoic acid Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NC2=NC=CS2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NC2=NC=CS2)C)C(=O)O

InChI

InChI=1S/C19H26N4O4S2/c1-3-4-5-6-7-8-9-20-18(27)23-16-13(17(25)26)12(2)14(29-16)15(24)22-19-21-10-11-28-19/h10-11H,3-9H2,1-2H3,(H,25,26)(H2,20,23,27)(H,21,22,24)