[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3S/c1-2-3-4-14(19)20-8-13(18)17-12-6-5-10(21-9-16)7-11(12)15/h3-7H,2,8H2,1H3,(H,17,18)/b4-3+