methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate Openeye Name: methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate CAS Name: 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate Traditional Name: 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylic acid methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC2=NCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC2=NCCCCC2

InChI

InChI=1S/C12H16N2O2S/c1-16-12(15)9-6-7-11(17-9)14-10-5-3-2-4-8-13-10/h6-7H,2-5,8H2,1H3,(H,13,14)