ethyl 6-(4-nitrophenyl)-2-pyrrolidin-1-yl-2H-thiopyran-3-carboxylate

Systemtic Name: ethyl 6-(4-nitrophenyl)-2-pyrrolidin-1-yl-2H-thiopyran-3-carboxylate Openeye Name: ethyl 6-(4-nitrophenyl)-2-pyrrolidin-1-yl-2H-thiopyran-3-carboxylate CAS Name: 6-(4-nitrophenyl)-2-(1-pyrrolidinyl)-2H-thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-nitrophenyl)-2-pyrrolidin-1-yl-2H-thiopyran-3-carboxylate Traditional Name: 6-(4-nitrophenyl)-2-pyrrolidino-2H-thiopyran-3-carboxylic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(SC1N2CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(SC1N2CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-2-24-18(21)15-9-10-16(25-17(15)19-11-3-4-12-19)13-5-7-14(8-6-13)20(22)23/h5-10,17H,2-4,11-12H2,1H3