[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

C1=COC(=C1)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C16H13BrN2O4S/c17-13-8-12(24-10-18)4-5-14(13)19-15(20)9-23-16(21)6-3-11-2-1-7-22-11/h1-2,4-5,7-8H,3,6,9H2,(H,19,20)