[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C15H16BrNO3S/c1-4-5-17-14(18)8-20-15(19)9-21-13-7-10(2)12(16)6-11(13)3/h1,6-7H,5,8-9H2,2-3H3,(H,17,18)