N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-coumaran-2-yl]methyl]-3-(methylthio)propionamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=NC4=CC=CC=C4S3)OC(C2)CNC(=O)CCSC

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=NC4=CC=CC=C4S3)OC(C2)CNC(=O)CCSC

InChI

InChI=1S/C21H22N2O2S2/c1-13-9-14-11-15(12-22-19(24)7-8-26-2)25-20(14)16(10-13)21-23-17-5-3-4-6-18(17)27-21/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,22,24)