ethyl 5-ethanoyl-4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[oxo-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(SCCO2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(SCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S2/c1-4-26-21(25)15-12(2)17(13(3)23)29-20(15)22-19(24)16-18(28-11-10-27-16)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,22,24)