3-azanyl-3-[2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]hex-5-enoic acid

Systemtic Name: 3-azanyl-3-[2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]hex-5-enoic acid Openeye Name: 3-amino-3-[2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]ethyl]hex-5-enoic acid CAS Name: 3-amino-3-[2-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]ethyl]-5-hexenoic acid IUPAC Name: 3-amino-3-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]hex-5-enoic acid Traditional Name: 3-amino-3-[2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]ethyl]hex-5-enoic acid Formula: C27H28ClNO3S MolecularWeight: 482.03412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CC(=O)O)N

Isomeric SMILES

C=CCC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CC(=O)O)N

InChI

InChI=1S/C27H28ClNO3S/c1-2-14-27(29,18-26(30)31)15-13-21-11-12-24(17-25(21)28)33-23-10-6-9-22(16-23)32-19-20-7-4-3-5-8-20/h2-12,16-17H,1,13-15,18-19,29H2,(H,30,31)