[(1S)-2-oxidanylidenecyclohexyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H15ClO3S MolecularWeight: 334.8172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H15ClO3S/c18-17-11-5-1-4-8-14(11)22-15(17)9-10-16(20)21-13-7-3-2-6-12(13)19/h1,4-5,8-10,13H,2-3,6-7H2/b10-9+/t13-/m0/s1