ethyl 1-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-2-carboxylate

Systemtic Name: ethyl 1-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-2-carboxylate Openeye Name: ethyl 1-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-2-carboxylate CAS Name: 1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-2-carboxylate Traditional Name: 1-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-2-carboxylic acid ethyl ester Formula: C24H29FN2O2S MolecularWeight: 428.562663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CNCCN1C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1CNCCN1C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(C)C

InChI

InChI=1S/C24H29FN2O2S/c1-4-29-24(28)21-14-26-9-10-27(21)20-12-17-5-7-18(25)13-23(17)30-22-8-6-16(15(2)3)11-19(20)22/h5-8,11,13,15,20-21,26H,4,9-10,12,14H2,1-3H3