tert-butyl 5-(1,3-benzothiazol-2-ylmethoxy)-3-(2-hydroxyethyl)-2-methyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-(1,3-benzothiazol-2-ylmethoxy)-3-(2-hydroxyethyl)-2-methyl-indole-1-carboxylate Openeye Name: tert-butyl 5-(1,3-benzothiazol-2-ylmethoxy)-3-(2-hydroxyethyl)-2-methyl-indole-1-carboxylate CAS Name: 5-(1,3-benzothiazol-2-ylmethoxy)-3-(2-hydroxyethyl)-2-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1,3-benzothiazol-2-ylmethoxy)-3-(2-hydroxyethyl)-2-methylindole-1-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-ylmethoxy)-3-(2-hydroxyethyl)-2-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=NC4=CC=CC=C4S3)CCO

Isomeric SMILES

CC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=NC4=CC=CC=C4S3)CCO

InChI

InChI=1S/C24H26N2O4S/c1-15-17(11-12-27)18-13-16(9-10-20(18)26(15)23(28)30-24(2,3)4)29-14-22-25-19-7-5-6-8-21(19)31-22/h5-10,13,27H,11-12,14H2,1-4H3