ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O4S2/c1-4-27-21(26)20-17(12-29-22-23-14-7-5-6-8-18(14)30-22)28-16-10-9-15(25)13(19(16)20)11-24(2)3/h5-10,25H,4,11-12H2,1-3H3