ethyl 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]acetate CAS Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]acetic acid ethyl ester Formula: C22H25ClN2O2S MolecularWeight: 416.9641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-2-27-22(26)15-24-9-11-25(12-10-24)19-13-16-5-3-4-6-20(16)28-21-8-7-17(23)14-18(19)21/h3-8,14,19H,2,9-13,15H2,1H3