4-[2-[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: 4-[2-[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 4-[2-[(E)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-[(E)-4-methoxy-4-oxobut-2-en-2-yl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-[2-[(E)-4-methoxy-4-oxobut-2-en-2-yl]-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-[(E)-3-keto-3-methoxy-1-methyl-prop-1-enyl]-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C27H27O6S- MolecularWeight: 479.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=CC(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)/C(=C/C(=O)OC)/C

InChI

InChI=1S/C27H28O6S/c1-18-6-4-5-7-22(18)24(10-11-26(28)29)33-25-15-21(32-16-20-12-13-34-17-20)8-9-23(25)19(2)14-27(30)31-3/h4-9,12-15,17,24H,10-11,16H2,1-3H3,(H,28,29)/p-1/b19-14+