(Z)-4-(3-chlorophenyl)-2-cyano-4-(1,3-dithian-2-yl)-3-methyl-but-2-enoic acid

Systemtic Name: (Z)-4-(3-chlorophenyl)-2-cyano-4-(1,3-dithian-2-yl)-3-methyl-but-2-enoic acid Openeye Name: (Z)-4-(3-chlorophenyl)-2-cyano-4-(1,3-dithian-2-yl)-3-methyl-but-2-enoic acid CAS Name: (Z)-4-(3-chlorophenyl)-2-cyano-4-(1,3-dithian-2-yl)-3-methyl-2-butenoic acid IUPAC Name: (Z)-4-(3-chlorophenyl)-2-cyano-4-(1,3-dithian-2-yl)-3-methylbut-2-enoic acid Traditional Name: (Z)-4-(3-chlorophenyl)-2-cyano-4-(1,3-dithian-2-yl)-3-methyl-but-2-enoic acid Formula: C16H16ClNO2S2 MolecularWeight: 353.88674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)O)C(C1SCCCS1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C/C(=C(\C#N)/C(=O)O)/C(C1SCCCS1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H16ClNO2S2/c1-10(13(9-18)15(19)20)14(16-21-6-3-7-22-16)11-4-2-5-12(17)8-11/h2,4-5,8,14,16H,3,6-7H2,1H3,(H,19,20)/b13-10-