tert-butyl 5-decyl-2-(phenoxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-decyl-2-(phenoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-decyl-2-(phenoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-decyl-2-[[oxo(phenoxy)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-decyl-2-(phenoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 2-(carbophenoxyamino)-5-decyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37NO4S/c1-5-6-7-8-9-10-11-15-18-21-19-22(24(28)31-26(2,3)4)23(32-21)27-25(29)30-20-16-13-12-14-17-20/h12-14,16-17,19H,5-11,15,18H2,1-4H3,(H,27,29)