tert-butyl 2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylate CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-phenethyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(octoxycarbonylamino)-5-phenethylthiophene-3-carboxylate Traditional Name: 2-(octoxycarbonylamino)-5-phenethyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37NO4S/c1-5-6-7-8-9-13-18-30-25(29)27-23-22(24(28)31-26(2,3)4)19-21(32-23)17-16-20-14-11-10-12-15-20/h10-12,14-15,19H,5-9,13,16-18H2,1-4H3,(H,27,29)