tert-butyl 5-(4,4-dimethylpentan-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-(4,4-dimethylpentan-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 2-(octoxycarbonylamino)-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylate CAS Name: 5-(4,4-dimethylpentan-2-yl)-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4,4-dimethylpentan-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 2-(octoxycarbonylamino)-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C25H43NO4S MolecularWeight: 453.67822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO4S/c1-9-10-11-12-13-14-15-29-23(28)26-21-19(22(27)30-25(6,7)8)16-20(31-21)18(2)17-24(3,4)5/h16,18H,9-15,17H2,1-8H3,(H,26,28)