(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H13BrO3S2 MolecularWeight: 421.32802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H13BrO3S2/c19-18-13-5-2-1-4-12(13)7-8-16(18)24-11-17(21)22-10-14(20)15-6-3-9-23-15/h1-9H,10-11H2