[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c1-11-3-2-4-12(7-11)17(22)23-9-16(21)20-15-6-5-13(24-10-19)8-14(15)18/h2-8H,9H2,1H3,(H,20,21)