diethyl 2-acetamido-2-[2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]ethyl]malonic acid diethyl ester Formula: C30H32ClNO6S MolecularWeight: 570.09618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32ClNO6S/c1-4-36-28(34)30(32-21(3)33,29(35)37-5-2)17-16-23-14-15-26(19-27(23)31)39-25-13-9-12-24(18-25)38-20-22-10-7-6-8-11-22/h6-15,18-19H,4-5,16-17,20H2,1-3H3,(H,32,33)