dimethyl-[[5-(3-methylphenyl)sulfanyl-2,3-dihydro-1-benzofuran-7-yl]oxycarbonyl]azanium chloride

Systemtic Name: dimethyl-[[5-(3-methylphenyl)sulfanyl-2,3-dihydro-1-benzofuran-7-yl]oxycarbonyl]azanium chloride Openeye Name: dimethyl-[[5-(m-tolylsulfanyl)-2,3-dihydrobenzofuran-7-yl]oxycarbonyl]ammonium chloride CAS Name: dimethyl-[[5-[(3-methylphenyl)thio]-2,3-dihydrobenzofuran-7-yl]oxy-oxomethyl]ammonium chloride IUPAC Name: dimethyl-[[5-(3-methylphenyl)sulfanyl-2,3-dihydro-1-benzofuran-7-yl]oxycarbonyl]azanium chloride Traditional Name: dimethyl-[5-(m-tolylthio)coumaran-7-yl]oxycarbonyl-ammonium chloride Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=CC(=C3C(=C2)CCO3)OC(=O)[NH+](C)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)SC2=CC(=C3C(=C2)CCO3)OC(=O)[NH+](C)C.[Cl-]

InChI

InChI=1S/C18H19NO3S.ClH/c1-12-5-4-6-14(9-12)23-15-10-13-7-8-21-17(13)16(11-15)22-18(20)19(2)3;/h4-6,9-11H,7-8H2,1-3H3;1H