[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)O

InChI

InChI=1S/C18H16N2O4S/c1-11-3-5-14(16(21)7-11)18(23)24-9-17(22)20-15-6-4-13(25-10-19)8-12(15)2/h3-8,21H,9H2,1-2H3,(H,20,22)