S-[(2-oxidanylidene-4-phenyl-oxolan-3-yl)methyl] 4-azanylbenzenecarbothioate hydrobromide

Systemtic Name: S-[(2-oxidanylidene-4-phenyl-oxolan-3-yl)methyl] 4-azanylbenzenecarbothioate hydrobromide Openeye Name: S-[(2-oxo-4-phenyl-tetrahydrofuran-3-yl)methyl] 4-aminobenzenecarbothioate hydrobromide CAS Name: 4-aminobenzenecarbothioic acid S-[(2-oxo-4-phenyl-3-oxolanyl)methyl] ester hydrobromide IUPAC Name: S-[(2-oxo-4-phenyloxolan-3-yl)methyl] 4-aminobenzenecarbothioate hydrobromide Traditional Name: 4-aminothiobenzoic acid S-[(2-keto-4-phenyl-tetrahydrofuran-3-yl)methyl] ester hydrobromide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)O1)CSC(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3.Br

Isomeric SMILES

C1C(C(C(=O)O1)CSC(=O)C2=CC=C(C=C2)N)C3=CC=CC=C3.Br

InChI

InChI=1S/C18H17NO3S.BrH/c19-14-8-6-13(7-9-14)18(21)23-11-16-15(10-22-17(16)20)12-4-2-1-3-5-12;/h1-9,15-16H,10-11,19H2;1H