7-[(E)-3-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]prop-2-enyl]azepan-2-one

Systemtic Name: 7-[(E)-3-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]prop-2-enyl]azepan-2-one Openeye Name: 7-[(E)-3-[5-(1,3-dioxolan-2-yl)-2-thienyl]allyl]azepan-2-one CAS Name: 7-[(E)-3-[5-(1,3-dioxolan-2-yl)-2-thiophenyl]prop-2-enyl]-2-azepanone IUPAC Name: 7-[(E)-3-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]prop-2-enyl]azepan-2-one Traditional Name: 7-[(E)-3-[5-(1,3-dioxolan-2-yl)-2-thienyl]allyl]azepan-2-one Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC=CC2=CC=C(S2)C3OCCO3

Isomeric SMILES

C1CCC(=O)NC(C1)C/C=C/C2=CC=C(S2)C3OCCO3

InChI

InChI=1S/C16H21NO3S/c18-15-7-2-1-4-12(17-15)5-3-6-13-8-9-14(21-13)16-19-10-11-20-16/h3,6,8-9,12,16H,1-2,4-5,7,10-11H2,(H,17,18)/b6-3+