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

Systemtic Name: tert-butyl 5-heptyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-heptyl-2-(1-methylheptoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-heptyl-2-[[octan-2-yloxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-heptyl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-heptyl-2-(1-methylheptoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C25H43NO4S MolecularWeight: 453.67822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(S1)NC(=O)OC(C)CCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCC1=CC(=C(S1)NC(=O)OC(C)CCCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H43NO4S/c1-7-9-11-13-15-17-20-18-21(23(27)30-25(4,5)6)22(31-20)26-24(28)29-19(3)16-14-12-10-8-2/h18-19H,7-17H2,1-6H3,(H,26,28)