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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CCC2=CC=CO2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CCC2=CC=CO2

InChI

InChI=1S/C17H16N2O4S/c1-12-9-14(24-11-18)5-6-15(12)19-16(20)10-23-17(21)7-4-13-3-2-8-22-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,19,20)