[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H19Cl2NO4S MolecularWeight: 416.31876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)N3CCCCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)N3CCCCCC3)Cl)Cl

InChI

InChI=1S/C18H19Cl2NO4S/c1-24-12-7-6-11-14(19)17(26-16(11)15(12)20)18(23)25-10-13(22)21-8-4-2-3-5-9-21/h6-7H,2-5,8-10H2,1H3