(3,3-dimethyl-2-oxidanylidene-butyl) (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=CC=CS2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=CC=CS2)/C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C20H22O3S/c1-14-7-5-8-15(11-14)12-16(17-9-6-10-24-17)19(22)23-13-18(21)20(2,3)4/h5-12H,13H2,1-4H3/b16-12+