tert-butyl 4-methyl-2-(octylcarbamoylamino)-5-(pyridin-3-ylmethylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: tert-butyl 4-methyl-2-(octylcarbamoylamino)-5-(pyridin-3-ylmethylcarbamoyl)thiophene-3-carboxylate Openeye Name: tert-butyl 4-methyl-2-(octylcarbamoylamino)-5-(3-pyridylmethylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(3-pyridinylmethylamino)methyl]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-(octylcarbamoylamino)-5-(pyridin-3-ylmethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(3-pyridylmethylcarbamoyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C26H38N4O4S MolecularWeight: 502.66932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CN=CC=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CN=CC=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N4O4S/c1-6-7-8-9-10-11-15-28-25(33)30-23-20(24(32)34-26(3,4)5)18(2)21(35-23)22(31)29-17-19-13-12-14-27-16-19/h12-14,16H,6-11,15,17H2,1-5H3,(H,29,31)(H2,28,30,33)