2-methylpropyl 4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]thiazole-5-carboxylic acid isobutyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=C(SCCO2)C3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(SCCO2)C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C20H22N2O4S2/c1-12(2)11-26-19(24)16-13(3)21-20(28-16)22-18(23)15-17(27-10-9-25-15)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,21,22,23)