3-chloranyl-1'-prop-2-enyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one

Systemtic Name: 3-chloranyl-1'-prop-2-enyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one Openeye Name: 1'-allyl-3-chloro-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one CAS Name: 3-chloro-1'-prop-2-enyl-5-spiro[benzo[b][1]benzothiepin-6,4'-piperidine]one IUPAC Name: 3-chloro-1'-prop-2-enylspiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one Traditional Name: 1'-allyl-3-chloro-spiro[benzo[b][1]benzothiepin-6,4'-piperidine]-5-one Formula: C21H20ClNOS MolecularWeight: 369.9076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2(CC1)C3=CC=CC=C3SC4=C(C2=O)C=C(C=C4)Cl

Isomeric SMILES

C=CCN1CCC2(CC1)C3=CC=CC=C3SC4=C(C2=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H20ClNOS/c1-2-11-23-12-9-21(10-13-23)17-5-3-4-6-19(17)25-18-8-7-15(22)14-16(18)20(21)24/h2-8,14H,1,9-13H2