ethyl (4S)-2-azanyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=C(C=C3)SC)C(=O)CCC2)N

InChI

InChI=1S/C19H21NO4S/c1-3-23-19(22)17-15(11-7-9-12(25-2)10-8-11)16-13(21)5-4-6-14(16)24-18(17)20/h7-10,15H,3-6,20H2,1-2H3/t15-/m0/s1