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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43NO4S/c1-5-6-7-8-9-10-11-15-20-24-22-25(27(31)34-29(2,3)4)26(35-24)30-28(32)33-21-16-19-23-17-13-12-14-18-23/h12-14,17-18,22H,5-11,15-16,19-21H2,1-4H3,(H,30,32)