tert-butyl 5-(6-methylhept-5-en-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-(6-methylhept-5-en-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-(1,5-dimethylhex-4-enyl)-2-(octoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-(6-methylhept-5-en-2-yl)-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(6-methylhept-5-en-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-(1,5-dimethylhex-4-enyl)-2-(octoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C26H43NO4S MolecularWeight: 465.68892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)C(C)CCC=C(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)C(C)CCC=C(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H43NO4S/c1-8-9-10-11-12-13-17-30-25(29)27-23-21(24(28)31-26(5,6)7)18-22(32-23)20(4)16-14-15-19(2)3/h15,18,20H,8-14,16-17H2,1-7H3,(H,27,29)