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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-phenylmethoxycarbonyl-thiophene-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-phenylmethoxycarbonyl-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-phenylmethoxycarbonylthiophene-3-carboxylic acid Traditional Name: 5-carbobenzoxy-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C23H30N2O5S/c1-3-4-5-6-7-11-14-24-23(29)25-20-18(21(26)27)16(2)19(31-20)22(28)30-15-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,26,27)(H2,24,25,29)