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

Systemtic Name: 4-methyl-2-(octan-2-yloxycarbonylamino)-5-phenylmethoxycarbonyl-thiophene-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-4-methyl-2-(1-methylheptoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[octan-2-yloxy(oxo)methyl]amino]-5-phenylmethoxycarbonyl-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octan-2-yloxycarbonylamino)-5-phenylmethoxycarbonylthiophene-3-carboxylic acid Traditional Name: 5-carbobenzoxy-4-methyl-2-(1-methylheptoxycarbonylamino)-3-thenoic acid Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S/c1-4-5-6-8-11-15(2)30-23(28)24-20-18(21(25)26)16(3)19(31-20)22(27)29-14-17-12-9-7-10-13-17/h7,9-10,12-13,15H,4-6,8,11,14H2,1-3H3,(H,24,28)(H,25,26)