[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H20ClNO3S/c19-16-13-8-4-5-9-14(13)24-17(16)18(22)23-11-15(21)20-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,21)