methyl 4-chloranyl-2-ethyl-6-(5-phenylpentanethioylamino)benzoate

Systemtic Name: methyl 4-chloranyl-2-ethyl-6-(5-phenylpentanethioylamino)benzoate Openeye Name: methyl 4-chloro-2-ethyl-6-(5-phenylpentanethioylamino)benzoate CAS Name: 4-chloro-2-ethyl-6-[(5-phenyl-1-sulfanylidenepentyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-ethyl-6-(5-phenylpentanethioylamino)benzoate Traditional Name: 4-chloro-2-ethyl-6-(5-phenylpentanethioylamino)benzoic acid methyl ester Formula: C21H24ClNO2S MolecularWeight: 389.93876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C(=O)OC)NC(=S)CCCCC2=CC=CC=C2)Cl

Isomeric SMILES

CCC1=CC(=CC(=C1C(=O)OC)NC(=S)CCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H24ClNO2S/c1-3-16-13-17(22)14-18(20(16)21(24)25-2)23-19(26)12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,23,26)