tert-butyl N-[1-(2-chlorophenyl)-1-oxidanylidene-4-(3-phenylmethoxyphenyl)sulfanyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-chlorophenyl)-1-oxidanylidene-4-(3-phenylmethoxyphenyl)sulfanyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[3-(3-benzyloxyphenyl)sulfanyl-1-(2-chlorobenzoyl)butyl]carbamate CAS Name: N-[1-(2-chlorophenyl)-1-oxo-4-[(3-phenylmethoxyphenyl)thio]pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-chlorophenyl)-1-oxo-4-(3-phenylmethoxyphenyl)sulfanylpentan-2-yl]carbamate Traditional Name: N-[3-[(3-benzoxyphenyl)thio]-1-(2-chlorobenzoyl)butyl]carbamic acid tert-butyl ester Formula: C29H32ClNO4S MolecularWeight: 526.08668

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)C1=CC=CC=C1Cl)NC(=O)OC(C)(C)C)SC2=CC=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(CC(C(=O)C1=CC=CC=C1Cl)NC(=O)OC(C)(C)C)SC2=CC=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32ClNO4S/c1-20(36-23-14-10-13-22(18-23)34-19-21-11-6-5-7-12-21)17-26(31-28(33)35-29(2,3)4)27(32)24-15-8-9-16-25(24)30/h5-16,18,20,26H,17,19H2,1-4H3,(H,31,33)