(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H17ClO3S MolecularWeight: 336.83308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H17ClO3S/c1-17(2,3)14(19)10-21-15(20)9-8-13-16(18)11-6-4-5-7-12(11)22-13/h4-9H,10H2,1-3H3/b9-8+