methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methyl-amino]ethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methyl-amino]acetate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methylamino]acetate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoyl-methyl-amino]acetic acid methyl ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CN(CC(=O)OC)C(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-16(10-14(18)19-2)13(17)4-3-9-20-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3