O4-tert-butyl O2-octyl 3-methyl-5-(octoxycarbonylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-octyl 3-methyl-5-(octoxycarbonylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-octyl 3-methyl-5-(octoxycarbonylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[octoxy(oxo)methyl]amino]thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester IUPAC Name: 4-O-tert-butyl 2-O-octyl 3-methyl-5-(octoxycarbonylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(octoxycarbonylamino)thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester Formula: C28H47NO6S MolecularWeight: 525.74088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H47NO6S/c1-7-9-11-13-15-17-19-33-26(31)23-21(3)22(25(30)35-28(4,5)6)24(36-23)29-27(32)34-20-18-16-14-12-10-8-2/h7-20H2,1-6H3,(H,29,32)