4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-(5-bromo-2-thienyl)-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-(5-bromo-2-thiophenyl)-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-(5-bromo-2-thienyl)-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C14H10BrNO3S MolecularWeight: 352.2031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H10BrNO3S/c1-18-12-6-9(7-16)2-3-11(12)19-8-10(17)13-4-5-14(15)20-13/h2-6H,8H2,1H3