2-nitroethyl (4S)-2-azanyl-4-(3-methoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrothiochromene-3-carboxylate

Systemtic Name: 2-nitroethyl (4S)-2-azanyl-4-(3-methoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrothiochromene-3-carboxylate Openeye Name: 2-nitroethyl (4S)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzothiopyran-3-carboxylic acid 2-nitroethyl ester IUPAC Name: 2-nitroethyl (4S)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(3-methoxyphenyl)-4,6,7,8-tetrahydrothiochromene-3-carboxylic acid 2-nitroethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3=C(CCCC3=O)SC(=C2C(=O)OCC[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C3=C(CCCC3=O)SC(=C2C(=O)OCC[N+](=O)[O-])N

InChI

InChI=1S/C19H20N2O6S/c1-26-12-5-2-4-11(10-12)15-16-13(22)6-3-7-14(16)28-18(20)17(15)19(23)27-9-8-21(24)25/h2,4-5,10,15H,3,6-9,20H2,1H3/t15-/m0/s1