2-diethylaminoethyl 9-ethylsulfanylxanthene-9-carboxylate hydrochloride

Systemtic Name: 2-diethylaminoethyl 9-ethylsulfanylxanthene-9-carboxylate hydrochloride Openeye Name: 2-diethylaminoethyl 9-ethylsulfanylxanthene-9-carboxylate hydrochloride CAS Name: 9-(ethylthio)-9-xanthenecarboxylic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 9-ethylsulfanylxanthene-9-carboxylate hydrochloride Traditional Name: 9-(ethylthio)xanthene-9-carboxylic acid 2-diethylaminoethyl ester hydrochloride Formula: C22H28ClNO3S MolecularWeight: 421.98062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)SCC.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2OC3=CC=CC=C31)SCC.Cl

InChI

InChI=1S/C22H27NO3S.ClH/c1-4-23(5-2)15-16-25-21(24)22(27-6-3)17-11-7-9-13-19(17)26-20-14-10-8-12-18(20)22;/h7-14H,4-6,15-16H2,1-3H3;1H