[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1[C@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO4S/c21-16-6-7-18-14(11-16)10-15(12-25-18)20(24)26-13-19(23)22-8-9-27-17-4-2-1-3-5-17/h1-7,11,15H,8-10,12-13H2,(H,22,23)/t15-/m1/s1