2-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethanol

Systemtic Name: 2-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethanol Openeye Name: 2-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethanol CAS Name: 2-[3-(3-chloro-5-benzo[b][1]benzothiepinyl)prop-2-ynyl-methylamino]ethanol IUPAC Name: 2-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methylamino]ethanol Traditional Name: 2-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethanol Formula: C20H18ClNOS MolecularWeight: 355.88102

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CN(CCO)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNOS/c1-22(11-12-23)10-4-6-15-13-16-5-2-3-7-19(16)24-20-9-8-17(21)14-18(15)20/h2-3,5,7-9,13-14,23H,10-12H2,1H3