[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic 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] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C14H13BrN2O3S/c1-7-4-9(7)13(19)20-6-12(18)17-14-16-10-3-2-8(15)5-11(10)21-14/h2-3,5,7,9H,4,6H2,1H3,(H,16,17,18)/t7-,9-/m0/s1