tert-butyl 5-decyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-decyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-decyl-2-(1-methylheptoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-decyl-2-[[octan-2-yloxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-decyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-decyl-2-(1-methylheptoxycarbonylamino)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)OC(C)CCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO4S/c1-7-9-11-13-14-15-16-18-20-23-21-24(26(30)33-28(4,5)6)25(34-23)29-27(31)32-22(3)19-17-12-10-8-2/h21-22H,7-20H2,1-6H3,(H,29,31)