(2-methylcyclohexyl) 2-chloranyl-5-(phenylsulfanylmethylamino)benzoate

Systemtic Name: (2-methylcyclohexyl) 2-chloranyl-5-(phenylsulfanylmethylamino)benzoate Openeye Name: (2-methylcyclohexyl) 2-chloro-5-(phenylsulfanylmethylamino)benzoate CAS Name: 2-chloro-5-[(phenylthio)methylamino]benzoic acid (2-methylcyclohexyl) ester IUPAC Name: (2-methylcyclohexyl) 2-chloro-5-(phenylsulfanylmethylamino)benzoate Traditional Name: 2-chloro-5-[(phenylthio)methylamino]benzoic acid (2-methylcyclohexyl) ester Formula: C21H24ClNO2S MolecularWeight: 389.93876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OC(=O)C2=C(C=CC(=C2)NCSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CCCCC1OC(=O)C2=C(C=CC(=C2)NCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClNO2S/c1-15-7-5-6-10-20(15)25-21(24)18-13-16(11-12-19(18)22)23-14-26-17-8-3-2-4-9-17/h2-4,8-9,11-13,15,20,23H,5-7,10,14H2,1H3