ethyl (4S)-2-azanyl-4-(2,4-dichlorophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(2,4-dichlorophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(2,4-dichlorophenyl)-5-keto-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid ethyl ester Formula: C21H15Cl2NO4S MolecularWeight: 448.3191

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C(=O)SC4=CC=CC=C42)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@H]1C3=C(C=C(C=C3)Cl)Cl)C(=O)SC4=CC=CC=C42)N

InChI

InChI=1S/C21H15Cl2NO4S/c1-2-27-20(25)17-15(11-8-7-10(22)9-13(11)23)16-18(28-19(17)24)12-5-3-4-6-14(12)29-21(16)26/h3-9,15H,2,24H2,1H3/t15-/m1/s1