(3-methyl-1,2-oxazol-5-yl)methyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate Openeye Name: (3-methylisoxazol-5-yl)methyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thiophenecarboxylic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylic acid (3-methylisoxazol-5-yl)methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CSC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CSC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H18N2O5S2/c1-13-8-17(26-20-13)11-25-19(22)16-9-18(27-12-16)28(23,24)21-7-6-14-4-2-3-5-15(14)10-21/h2-5,8-9,12H,6-7,10-11H2,1H3