ethyl 5-(1,4-diazepan-1-ylsulfonyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,4-diazepan-1-ylsulfonyl)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,4-diazepan-1-ylsulfonyl)thiophene-3-carboxylate CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,4-diazepan-1-ylsulfonyl)thiophene-3-carboxylate Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)thiophene-3-carboxylic acid ethyl ester Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=C1)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

CCOC(=O)C1=CSC(=C1)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C12H18N2O4S2/c1-2-18-12(15)10-8-11(19-9-10)20(16,17)14-6-3-4-13-5-7-14/h8-9,13H,2-7H2,1H3