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

Systemtic Name: tert-butyl 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylate Openeye Name: tert-butyl 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylate CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-(5-phenylpentyl)-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylate Traditional Name: 2-(octoxycarbonylamino)-5-(5-phenylpentyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C29H43NO4S MolecularWeight: 501.72102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43NO4S/c1-5-6-7-8-9-16-21-33-28(32)30-26-25(27(31)34-29(2,3)4)22-24(35-26)20-15-11-14-19-23-17-12-10-13-18-23/h10,12-13,17-18,22H,5-9,11,14-16,19-21H2,1-4H3,(H,30,32)