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

Systemtic Name: tert-butyl 5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-dodecyl-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 5-lauryl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C30H53NO4S MolecularWeight: 523.81112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H53NO4S/c1-6-8-10-12-14-15-16-17-18-20-22-25-24-26(28(32)35-30(3,4)5)27(36-25)31-29(33)34-23-21-19-13-11-9-7-2/h24H,6-23H2,1-5H3,(H,31,33)