prop-2-ynyl 2-(6-bromanyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: prop-2-ynyl 2-(6-bromanyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: prop-2-ynyl 2-(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-bromo-2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid propargyl ester Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CN1C2CCC(CC2SC1=O)Br

Isomeric SMILES

C#CCOC(=O)CN1C2CCC(CC2SC1=O)Br

InChI

InChI=1S/C12H14BrNO3S/c1-2-5-17-11(15)7-14-9-4-3-8(13)6-10(9)18-12(14)16/h1,8-10H,3-7H2