(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=C(OC(=N3)C4=CC=CS4)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=C(OC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C21H22N2O5S2/c1-3-30(25,26)23-12-16-8-5-4-7-15(16)11-18(23)21(24)27-13-17-14(2)28-20(22-17)19-9-6-10-29-19/h4-10,18H,3,11-13H2,1-2H3