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

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br)C

Isomeric SMILES

CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br)C

InChI

InChI=1S/C14H13BrN2O3S/c1-9(2)5-14(19)20-7-13(18)17-12-4-3-10(21-8-16)6-11(12)15/h3-6H,7H2,1-2H3,(H,17,18)