ethyl 3-[[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]phenyl]methylsulfanyl]propanoate

Systemtic Name: ethyl 3-[[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]phenyl]methylsulfanyl]propanoate Openeye Name: ethyl 3-[[4-[(3-chloro-4-methyl-phenyl)carbamoyl]phenyl]methylsulfanyl]propanoate CAS Name: 3-[[4-[(3-chloro-4-methylanilino)-oxomethyl]phenyl]methylthio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl]methylsulfanyl]propanoate Traditional Name: 3-[[4-[(3-chloro-4-methyl-phenyl)carbamoyl]benzyl]thio]propionic acid ethyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)CCSCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-3-25-19(23)10-11-26-13-15-5-7-16(8-6-15)20(24)22-17-9-4-14(2)18(21)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)