tert-butyl 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-decyl-2-[[oxo(4-phenylbutoxy)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C30H45NO4S MolecularWeight: 515.7476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H45NO4S/c1-5-6-7-8-9-10-11-15-21-25-23-26(28(32)35-30(2,3)4)27(36-25)31-29(33)34-22-17-16-20-24-18-13-12-14-19-24/h12-14,18-19,23H,5-11,15-17,20-22H2,1-4H3,(H,31,33)