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

Systemtic Name: ethyl 5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-2-(methoxycarbonylamino)pentanoate Openeye Name: ethyl 5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-ethyl-2-(methoxycarbonylamino)pentanoate CAS Name: 5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-ethyl-2-(methoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-ethyl-2-(methoxycarbonylamino)pentanoate Traditional Name: 5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(carbomethoxyamino)-2-ethyl-valeric acid ethyl ester Formula: C30H34ClNO5S MolecularWeight: 556.11266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34ClNO5S/c1-4-30(28(33)36-5-2,32-29(34)35-3)18-10-13-23-16-17-26(20-27(23)31)38-25-15-9-14-24(19-25)37-21-22-11-7-6-8-12-22/h6-9,11-12,14-17,19-20H,4-5,10,13,18,21H2,1-3H3,(H,32,34)