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

Systemtic Name: tert-butyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C22H37N3O4S MolecularWeight: 439.61188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O4S/c1-8-9-10-11-12-13-14-23-21(28)24-18-16(20(27)29-22(3,4)5)15(2)17(30-18)19(26)25(6)7/h8-14H2,1-7H3,(H2,23,24,28)