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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(3-phenoxypropylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-(3-phenoxypropylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(3-phenoxypropylamino)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(3-phenoxypropylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(3-phenoxypropylcarbamoyl)-3-thenoic acid Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCOC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCOC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C25H35N3O5S/c1-3-4-5-6-7-11-15-27-25(32)28-23-20(24(30)31)18(2)21(34-23)22(29)26-16-12-17-33-19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)