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

Systemtic Name: tert-butyl 5-ethanoyl-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-acetyl-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyl-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N2O4S/c1-7-8-9-10-11-12-13-22-20(26)23-18-16(19(25)27-21(4,5)6)14(2)17(28-18)15(3)24/h7-13H2,1-6H3,(H2,22,23,26)