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

Systemtic Name: ethyl 2-azanyl-4-(azepan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-(azepan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-(1-azepanylmethyl)-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(azepan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-(azepan-1-ylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN2CCCCCC2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN2CCCCCC2)C(=O)NC)N

InChI

InChI=1S/C16H25N3O3S/c1-3-22-16(21)12-11(10-19-8-6-4-5-7-9-19)13(15(20)18-2)23-14(12)17/h3-10,17H2,1-2H3,(H,18,20)