7-azanyl-2-(6-chloranylbenzo[c][1]benzothiepin-11-yl)heptanoic acid

Systemtic Name: 7-azanyl-2-(6-chloranylbenzo[c][1]benzothiepin-11-yl)heptanoic acid Openeye Name: 7-amino-2-(6-chlorobenzo[c][1]benzothiepin-11-yl)heptanoic acid CAS Name: 7-amino-2-(6-chloro-11-benzo[c][1]benzothiepinyl)heptanoic acid IUPAC Name: 7-amino-2-(6-chlorobenzo[c][1]benzothiepin-11-yl)heptanoic acid Traditional Name: 7-amino-2-(6-chlorobenzo[c][1]benzothiepin-11-yl)enanthic acid Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C(S2)Cl)C(CCCCCN)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C(S2)Cl)C(CCCCCN)C(=O)O

InChI

InChI=1S/C21H22ClNO2S/c22-20-15-9-4-3-8-14(15)19(16-10-5-6-12-18(16)26-20)17(21(24)25)11-2-1-7-13-23/h3-6,8-10,12,17H,1-2,7,11,13,23H2,(H,24,25)