methyl 4-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[7-(1,3-benzothiazol-2-yl)-5-methyl-coumaran-2-yl]methylamino]-4-keto-butyric acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-13-9-14-11-15(12-23-19(25)7-8-20(26)27-2)28-21(14)16(10-13)22-24-17-5-3-4-6-18(17)29-22/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,23,25)