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

Systemtic Name: tert-butyl 5-decyl-2-(octoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-decyl-2-(octoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-decyl-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-decyl-2-(octoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-decyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C28H49NO4S MolecularWeight: 495.75796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H49NO4S/c1-6-8-10-12-14-15-16-18-20-23-22-24(26(30)33-28(3,4)5)25(34-23)29-27(31)32-21-19-17-13-11-9-7-2/h22H,6-21H2,1-5H3,(H,29,31)