4-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]morpholine

Systemtic Name: 4-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]morpholine Openeye Name: 4-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]morpholine CAS Name: 4-[3-(3-chloro-5-benzo[b][1]benzothiepinyl)prop-2-ynyl]morpholine IUPAC Name: 4-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]morpholine Traditional Name: 4-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]morpholine Formula: C21H18ClNOS MolecularWeight: 367.89172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CC2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1COCCN1CC#CC2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClNOS/c22-18-7-8-21-19(15-18)16(5-3-9-23-10-12-24-13-11-23)14-17-4-1-2-6-20(17)25-21/h1-2,4,6-8,14-15H,9-13H2