[methyl-[2-[[4-(2-phenylethynyl)phenyl]carbamoyloxy]ethyl]amino] methanesulfinate

Systemtic Name: [methyl-[2-[[4-(2-phenylethynyl)phenyl]carbamoyloxy]ethyl]amino] methanesulfinate Openeye Name: [methyl-[2-[[4-(2-phenylethynyl)phenyl]carbamoyloxy]ethyl]amino] methanesulfinate CAS Name: methanesulfinic acid [methyl-[2-[oxo-[4-(2-phenylethynyl)anilino]methoxy]ethyl]amino] ester IUPAC Name: [methyl-[2-[[4-(2-phenylethynyl)phenyl]carbamoyloxy]ethyl]amino] methanesulfinate Traditional Name: methanesulfinic acid [methyl-[2-[[4-(2-phenylethynyl)phenyl]carbamoyloxy]ethyl]amino] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)NC1=CC=C(C=C1)C#CC2=CC=CC=C2)OS(=O)C

Isomeric SMILES

CN(CCOC(=O)NC1=CC=C(C=C1)C#CC2=CC=CC=C2)OS(=O)C

InChI

InChI=1S/C19H20N2O4S/c1-21(25-26(2)23)14-15-24-19(22)20-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-13H,14-15H2,1-2H3,(H,20,22)