tert-butyl 2-azanyl-5-heptyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-5-heptyl-4-methyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-amino-5-heptyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-amino-5-heptyl-4-methyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-5-heptyl-4-methylthiophene-3-carboxylate Traditional Name: 2-amino-5-heptyl-4-methyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(S1)N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCC1=C(C(=C(S1)N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H29NO2S/c1-6-7-8-9-10-11-13-12(2)14(15(18)21-13)16(19)20-17(3,4)5/h6-11,18H2,1-5H3