tert-butyl 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-heptyl-4-methyl-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-heptyl-4-methyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO4S/c1-7-9-11-13-15-17-19-30-25(29)27-23-22(24(28)31-26(4,5)6)20(3)21(32-23)18-16-14-12-10-8-2/h7-19H2,1-6H3,(H,27,29)