[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic 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] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O4S/c1-8(18)2-5-13(20)21-7-12(19)17-14-16-10-4-3-9(15)6-11(10)22-14/h3-4,6H,2,5,7H2,1H3,(H,16,17,19)