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

Systemtic Name: ethyl 2-azanyl-4-(4-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-5-keto-4-(4-nitro-2-thienyl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CS3)[N+](=O)[O-])C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CS3)[N+](=O)[O-])C(=O)CCC2)N

InChI

InChI=1S/C16H16N2O6S/c1-2-23-16(20)14-13(11-6-8(7-25-11)18(21)22)12-9(19)4-3-5-10(12)24-15(14)17/h6-7,13H,2-5,17H2,1H3