methyl (E)-2-(2-azanylethylamino)-4-(4-chlorophenyl)-3-sulfanyl-but-3-enoate

Systemtic Name: methyl (E)-2-(2-azanylethylamino)-4-(4-chlorophenyl)-3-sulfanyl-but-3-enoate Openeye Name: methyl (E)-2-(2-aminoethylamino)-4-(4-chlorophenyl)-3-sulfanyl-but-3-enoate CAS Name: (E)-2-(2-aminoethylamino)-4-(4-chlorophenyl)-3-mercapto-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(2-aminoethylamino)-4-(4-chlorophenyl)-3-sulfanylbut-3-enoate Traditional Name: (E)-2-(2-aminoethylamino)-4-(4-chlorophenyl)-3-mercapto-but-3-enoic acid methyl ester Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=CC1=CC=C(C=C1)Cl)S)NCCN

Isomeric SMILES

COC(=O)C(/C(=C\C1=CC=C(C=C1)Cl)/S)NCCN

InChI

InChI=1S/C13H17ClN2O2S/c1-18-13(17)12(16-7-6-15)11(19)8-9-2-4-10(14)5-3-9/h2-5,8,12,16,19H,6-7,15H2,1H3/b11-8+