ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 2-[(4-methoxy-3-nitro-benzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S2/c1-5-28-19(24)16-12-9-20(2,3)29-10-15(12)30-18(16)21-17(23)11-6-7-14(27-4)13(8-11)22(25)26/h6-8H,5,9-10H2,1-4H3,(H,21,23)