O4-tert-butyl O2-heptyl 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-heptyl 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-heptyl 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[heptoxy(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-heptyl ester IUPAC Name: 4-O-tert-butyl 2-O-heptyl 5-(heptoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-heptyl ester Formula: C26H43NO6S MolecularWeight: 497.68772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C26H43NO6S/c1-7-9-11-13-15-17-31-24(29)21-19(3)20(23(28)33-26(4,5)6)22(34-21)27-25(30)32-18-16-14-12-10-8-2/h7-18H2,1-6H3,(H,27,30)