octyl N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamate

Systemtic Name: octyl N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamate Openeye Name: octyl N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamate CAS Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamic acid octyl ester IUPAC Name: octyl N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamate Traditional Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamic acid octyl ester Formula: C23H28ClNO2S MolecularWeight: 417.99192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCOC(=O)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C23H28ClNO2S/c1-2-3-4-5-6-9-14-27-23(26)25-20-15-17-10-7-8-11-21(17)28-22-13-12-18(24)16-19(20)22/h7-8,10-13,16,20H,2-6,9,14-15H2,1H3,(H,25,26)