ethyl 2-azanyl-4-(azocan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(azocan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-(azocan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-(1-azocanylmethyl)-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(azocan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-(azocan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN2CCCCCCC2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN2CCCCCCC2)C(=O)NC)N

InChI

InChI=1S/C17H27N3O3S/c1-3-23-17(22)13-12(14(16(21)19-2)24-15(13)18)11-20-9-7-5-4-6-8-10-20/h3-11,18H2,1-2H3,(H,19,21)