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

Systemtic Name: 4-methyl-2-(octan-2-ylcarbamoylamino)-5-phenylmethoxycarbonyl-thiophene-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-4-methyl-2-(1-methylheptylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octan-2-ylamino)-oxomethyl]amino]-5-phenylmethoxycarbonyl-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octan-2-ylcarbamoylamino)-5-phenylmethoxycarbonylthiophene-3-carboxylic acid Traditional Name: 5-carbobenzoxy-4-methyl-2-(1-methylheptylcarbamoylamino)-3-thenoic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCC(C)NC(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C23H30N2O5S/c1-4-5-6-8-11-15(2)24-23(29)25-20-18(21(26)27)16(3)19(31-20)22(28)30-14-17-12-9-7-10-13-17/h7,9-10,12-13,15H,4-6,8,11,14H2,1-3H3,(H,26,27)(H2,24,25,29)