ethyl 2-[(2-bromanyl-2-phenyl-ethanoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-[(2-bromanyl-2-phenyl-ethanoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-[(2-bromo-2-phenyl-acetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[(2-bromo-1-oxo-2-phenylethyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-2-phenylacetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-[(2-bromo-2-phenyl-acetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C(C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C(C3=CC=CC=C3)Br

InChI

InChI=1S/C20H22BrNO4S/c1-4-25-19(24)15-13-10-20(2,3)26-11-14(13)27-18(15)22-17(23)16(21)12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3,(H,22,23)