methyl (Z)-3-azanyl-2-[2-(4-chlorophenyl)sulfanylethanoyl]but-2-enoate

Systemtic Name: methyl (Z)-3-azanyl-2-[2-(4-chlorophenyl)sulfanylethanoyl]but-2-enoate Openeye Name: methyl (Z)-3-amino-2-[2-(4-chlorophenyl)sulfanylacetyl]but-2-enoate CAS Name: (Z)-3-amino-2-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-amino-2-[2-(4-chlorophenyl)sulfanylacetyl]but-2-enoate Traditional Name: (Z)-3-amino-2-[2-[(4-chlorophenyl)thio]acetyl]but-2-enoic acid methyl ester Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)CSC1=CC=C(C=C1)Cl)C(=O)OC)N

Isomeric SMILES

C/C(=C(\C(=O)CSC1=CC=C(C=C1)Cl)/C(=O)OC)/N

InChI

InChI=1S/C13H14ClNO3S/c1-8(15)12(13(17)18-2)11(16)7-19-10-5-3-9(14)4-6-10/h3-6H,7,15H2,1-2H3/b12-8-