methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC2=CC=CC=C21)C(=O)OC)O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=C(C(=CC2=CC=CC=C21)C(=O)OC)O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O3S/c1-24(13-20-23-18-9-5-6-10-19(18)28-20)12-17-15-8-4-3-7-14(15)11-16(21(17)25)22(26)27-2/h3-11,25H,12-13H2,1-2H3