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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C19H21Cl2NO4S MolecularWeight: 430.34534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3CCCCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3CCCCCC3)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO4S/c1-25-13-9-8-12-15(20)18(27-17(12)16(13)21)19(24)26-10-14(23)22-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,22,23)