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

Systemtic Name: tert-butyl 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(octylamino)-oxomethyl]-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(octylcarbamoyl)-2-(octylcarbamoylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C28H49N3O4S MolecularWeight: 523.77136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(C(=C(S1)NC(=O)NCCCCCCCC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(C(=C(S1)NC(=O)NCCCCCCCC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H49N3O4S/c1-7-9-11-13-15-17-19-29-24(32)23-21(3)22(26(33)35-28(4,5)6)25(36-23)31-27(34)30-20-18-16-14-12-10-8-2/h7-20H2,1-6H3,(H,29,32)(H2,30,31,34)