methyl (Z)-3-iodanyl-4-(3-phenylprop-2-ynylsulfanyl)but-2-enoate

Systemtic Name: methyl (Z)-3-iodanyl-4-(3-phenylprop-2-ynylsulfanyl)but-2-enoate Openeye Name: methyl (Z)-3-iodo-4-(3-phenylprop-2-ynylsulfanyl)but-2-enoate CAS Name: (Z)-3-iodo-4-(3-phenylprop-2-ynylthio)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-iodo-4-(3-phenylprop-2-ynylsulfanyl)but-2-enoate Traditional Name: (Z)-3-iodo-4-(3-phenylprop-2-ynylthio)but-2-enoic acid methyl ester Formula: C14H13IO2S MolecularWeight: 372.22129

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(CSCC#CC1=CC=CC=C1)I

Isomeric SMILES

COC(=O)/C=C(/CSCC#CC1=CC=CC=C1)\I

InChI

InChI=1S/C14H13IO2S/c1-17-14(16)10-13(15)11-18-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,9,11H2,1H3/b13-10-