ethyl 5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(methoxycarbonylamino)-2-methyl-pentanoate

Systemtic Name: ethyl 5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(methoxycarbonylamino)-2-methyl-pentanoate Openeye Name: ethyl 5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-(methoxycarbonylamino)-2-methyl-pentanoate CAS Name: 5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-(methoxycarbonylamino)-2-methylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(methoxycarbonylamino)-2-methylpentanoate Traditional Name: 5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(carbomethoxyamino)-2-methyl-valeric acid ethyl ester Formula: C29H32ClNO5S MolecularWeight: 542.08608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)NC(=O)OC

Isomeric SMILES

CCOC(=O)C(C)(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)NC(=O)OC

InChI

InChI=1S/C29H32ClNO5S/c1-4-35-27(32)29(2,31-28(33)34-3)17-9-12-22-15-16-25(19-26(22)30)37-24-14-8-13-23(18-24)36-20-21-10-6-5-7-11-21/h5-8,10-11,13-16,18-19H,4,9,12,17,20H2,1-3H3,(H,31,33)