2-(2H-chromen-6-yl)-2-[3-[3-(methylamino)-3-oxidanylidene-propyl]morpholin-4-yl]ethanethioic S-acid

Systemtic Name: 2-(2H-chromen-6-yl)-2-[3-[3-(methylamino)-3-oxidanylidene-propyl]morpholin-4-yl]ethanethioic S-acid Openeye Name: 2-(2H-chromen-6-yl)-2-[3-[3-(methylamino)-3-oxo-propyl]morpholin-4-yl]ethanethioic S-acid CAS Name: 2-(2H-1-benzopyran-6-yl)-2-[3-[3-(methylamino)-3-oxopropyl]-4-morpholinyl]ethanethioic S-acid IUPAC Name: 2-(2H-chromen-6-yl)-2-[3-[3-(methylamino)-3-oxopropyl]morpholin-4-yl]ethanethioic S-acid Traditional Name: 2-(2H-chromen-6-yl)-2-[3-[3-keto-3-(methylamino)propyl]morpholino]thioacetic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1COCCN1C(C2=CC3=C(C=C2)OCC=C3)C(=O)S

Isomeric SMILES

CNC(=O)CCC1COCCN1C(C2=CC3=C(C=C2)OCC=C3)C(=O)S

InChI

InChI=1S/C19H24N2O4S/c1-20-17(22)7-5-15-12-24-10-8-21(15)18(19(23)26)14-4-6-16-13(11-14)3-2-9-25-16/h2-4,6,11,15,18H,5,7-10,12H2,1H3,(H,20,22)(H,23,26)