methyl N-[3-[(2-chlorophenyl)-oxidanyl-methyl]-1-(3-phenylmethoxyphenyl)sulfanyl-pentan-3-yl]carbamate

Systemtic Name: methyl N-[3-[(2-chlorophenyl)-oxidanyl-methyl]-1-(3-phenylmethoxyphenyl)sulfanyl-pentan-3-yl]carbamate Openeye Name: methyl N-[3-(3-benzyloxyphenyl)sulfanyl-1-[(2-chlorophenyl)-hydroxy-methyl]-1-ethyl-propyl]carbamate CAS Name: N-[3-[(2-chlorophenyl)-hydroxymethyl]-1-[(3-phenylmethoxyphenyl)thio]pentan-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[(2-chlorophenyl)-hydroxymethyl]-1-(3-phenylmethoxyphenyl)sulfanylpentan-3-yl]carbamate Traditional Name: N-[3-[(3-benzoxyphenyl)thio]-1-[(2-chlorophenyl)-hydroxy-methyl]-1-ethyl-propyl]carbamic acid methyl ester Formula: C27H30ClNO4S MolecularWeight: 500.0494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSC1=CC=CC(=C1)OCC2=CC=CC=C2)(C(C3=CC=CC=C3Cl)O)NC(=O)OC

Isomeric SMILES

CCC(CCSC1=CC=CC(=C1)OCC2=CC=CC=C2)(C(C3=CC=CC=C3Cl)O)NC(=O)OC

InChI

InChI=1S/C27H30ClNO4S/c1-3-27(29-26(31)32-2,25(30)23-14-7-8-15-24(23)28)16-17-34-22-13-9-12-21(18-22)33-19-20-10-5-4-6-11-20/h4-15,18,25,30H,3,16-17,19H2,1-2H3,(H,29,31)