ethyl 4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-2-(methoxycarbonylamino)butanoate

Systemtic Name: ethyl 4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-2-(methoxycarbonylamino)butanoate Openeye Name: ethyl 4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-ethyl-2-(methoxycarbonylamino)butanoate CAS Name: 4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-ethyl-2-(methoxycarbonylamino)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-ethyl-2-(methoxycarbonylamino)butanoate Traditional Name: 4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(carbomethoxyamino)-2-ethyl-butyric acid ethyl ester Formula: C29H32ClNO5S MolecularWeight: 542.08608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(=O)OCC)NC(=O)OC

Isomeric SMILES

CCC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(=O)OCC)NC(=O)OC

InChI

InChI=1S/C29H32ClNO5S/c1-4-29(27(32)35-5-2,31-28(33)34-3)17-16-22-14-15-25(19-26(22)30)37-24-13-9-12-23(18-24)36-20-21-10-7-6-8-11-21/h6-15,18-19H,4-5,16-17,20H2,1-3H3,(H,31,33)