7-[(1-chloranylbenzo[c][1]benzothiepin-11-yl)amino]heptanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CSC3=C(C(=CC=C3)Cl)C(=C2C=C1)NCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=CSC3=C(C(=CC=C3)Cl)C(=C2C=C1)NCCCCCCC(=O)O

InChI

InChI=1S/C21H22ClNO2S/c22-17-10-7-11-18-20(17)21(16-9-5-4-8-15(16)14-26-18)23-13-6-2-1-3-12-19(24)25/h4-5,7-11,14,23H,1-3,6,12-13H2,(H,24,25)