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

Systemtic Name: ethyl 5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(methoxycarbonylamino)-2-propyl-pentanoate Openeye Name: ethyl 5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-(methoxycarbonylamino)-2-propyl-pentanoate CAS Name: 5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-(methoxycarbonylamino)-2-propylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(methoxycarbonylamino)-2-propylpentanoate Traditional Name: 5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(carbomethoxyamino)-2-propyl-valeric acid ethyl ester Formula: C31H36ClNO5S MolecularWeight: 570.13924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36ClNO5S/c1-4-18-31(29(34)37-5-2,33-30(35)36-3)19-10-13-24-16-17-27(21-28(24)32)39-26-15-9-14-25(20-26)38-22-23-11-7-6-8-12-23/h6-9,11-12,14-17,20-21H,4-5,10,13,18-19,22H2,1-3H3,(H,33,35)