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

Systemtic Name: 2-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethyl ethanoate Openeye Name: 2-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethyl acetate CAS Name: acetic acid 2-[3-(3-chloro-5-benzo[b][1]benzothiepinyl)prop-2-ynyl-methylamino]ethyl ester IUPAC Name: 2-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methylamino]ethyl acetate Traditional Name: acetic acid 2-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-methyl-amino]ethyl ester Formula: C22H20ClNO2S MolecularWeight: 397.9177

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC(=O)OCCN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO2S/c1-16(25)26-13-12-24(2)11-5-7-17-14-18-6-3-4-8-21(18)27-22-10-9-19(23)15-20(17)22/h3-4,6,8-10,14-15H,11-13H2,1-2H3