11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid chloride

Systemtic Name: 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid chloride Openeye Name: 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid chloride CAS Name: 11-(2-dimethylaminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid chloride IUPAC Name: 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid chloride Traditional Name: 11-(2-dimethylaminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid chloride Formula: C19H21ClNO3S- MolecularWeight: 378.89294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)O.[Cl-]

Isomeric SMILES

CN(C)CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C19H21NO3S.ClH/c1-20(2)9-10-24-18-15-6-4-3-5-14(15)12-23-17-8-7-13(19(21)22)11-16(17)18;/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22);1H/p-1