methyl 5-iodanyl-2-(propoxycarbothioylamino)benzoate

Systemtic Name: methyl 5-iodanyl-2-(propoxycarbothioylamino)benzoate Openeye Name: methyl 5-iodo-2-(propoxycarbothioylamino)benzoate CAS Name: 5-iodo-2-[[propoxy(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-iodo-2-(propoxycarbothioylamino)benzoate Traditional Name: 5-iodo-2-(propoxycarbothioylamino)benzoic acid methyl ester Formula: C12H14INO3S MolecularWeight: 379.21393

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=S)NC1=C(C=C(C=C1)I)C(=O)OC

Isomeric SMILES

CCCOC(=S)NC1=C(C=C(C=C1)I)C(=O)OC

InChI

InChI=1S/C12H14INO3S/c1-3-6-17-12(18)14-10-5-4-8(13)7-9(10)11(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,14,18)