O4-tert-butyl O2-heptyl 5-azanyl-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-heptyl 5-azanyl-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-heptyl 5-amino-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-heptyl ester IUPAC Name: 4-O-tert-butyl 2-O-heptyl 5-amino-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-heptyl ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C(=C(S1)N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C(=C(S1)N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C18H29NO4S/c1-6-7-8-9-10-11-22-17(21)14-12(2)13(15(19)24-14)16(20)23-18(3,4)5/h6-11,19H2,1-5H3