methyl (Z)-3-(2-chloranyl-5-isothiocyanato-phenyl)but-2-enoate

Systemtic Name: methyl (Z)-3-(2-chloranyl-5-isothiocyanato-phenyl)but-2-enoate Openeye Name: methyl (Z)-3-(2-chloro-5-isothiocyanato-phenyl)but-2-enoate CAS Name: (Z)-3-(2-chloro-5-isothiocyanatophenyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(2-chloro-5-isothiocyanatophenyl)but-2-enoate Traditional Name: (Z)-3-(2-chloro-5-isothiocyanato-phenyl)but-2-enoic acid methyl ester Formula: C12H10ClNO2S MolecularWeight: 267.7313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C/C(=O)OC)/C1=C(C=CC(=C1)N=C=S)Cl

InChI

InChI=1S/C12H10ClNO2S/c1-8(5-12(15)16-2)10-6-9(14-7-17)3-4-11(10)13/h3-6H,1-2H3/b8-5-