5-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)amino]pentanoic acid

Systemtic Name: 5-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)amino]pentanoic acid Openeye Name: 5-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)amino]pentanoic acid CAS Name: 5-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)amino]pentanoic acid IUPAC Name: 5-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)amino]pentanoic acid Traditional Name: 5-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)amino]valeric acid Formula: C19H20ClNO2S MolecularWeight: 361.8856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)NCCCCC(=O)O

Isomeric SMILES

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)NCCCCC(=O)O

InChI

InChI=1S/C19H20ClNO2S/c20-14-8-9-18-15(12-14)16(21-10-4-3-7-19(22)23)11-13-5-1-2-6-17(13)24-18/h1-2,5-6,8-9,12,16,21H,3-4,7,10-11H2,(H,22,23)