ethyl 2-[(2,6-dinitrophenyl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-[(2,6-dinitrophenyl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-[(2,6-dinitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[(2,6-dinitrophenyl)-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,6-dinitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-[(2,6-dinitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8S/c1-4-29-18(24)14-10-8-19(2,3)30-9-13(10)31-17(14)20-16(23)15-11(21(25)26)6-5-7-12(15)22(27)28/h5-7H,4,8-9H2,1-3H3,(H,20,23)