[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)acetate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate Traditional Name: 2-(2-furoylamino)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC=CO2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC=CO2)C)SC#N

InChI

InChI=1S/C18H17N3O5S/c1-11-6-13(27-10-19)7-12(2)17(11)21-15(22)9-26-16(23)8-20-18(24)14-4-3-5-25-14/h3-7H,8-9H2,1-2H3,(H,20,24)(H,21,22)