[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H15BrO5S MolecularWeight: 423.2777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15BrO5S/c1-11-6-13(19)3-5-17(11)25-9-18(21)22-8-14(20)12-2-4-15-16(7-12)24-10-23-15/h2-7H,8-10H2,1H3