[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C13H11BrN2O3S MolecularWeight: 355.20704

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br

Isomeric SMILES

C/C=C/C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br

InChI

InChI=1S/C13H11BrN2O3S/c1-2-3-12(18)19-7-11(17)16-13-15-9-5-4-8(14)6-10(9)20-13/h2-6H,7H2,1H3,(H,15,16,17)/b3-2+