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

Systemtic Name: tert-butyl 3-(2-azanyloxyethyl)-5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-aminooxyethyl)-5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-indole-1-carboxylate CAS Name: 3-(2-aminooxyethyl)-5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-aminooxyethyl)-5-(1,3-benzothiazol-2-ylmethoxy)-2-methylindole-1-carboxylate Traditional Name: 3-(2-aminooxyethyl)-5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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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)CCON

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-15-17(11-12-30-25)18-13-16(9-10-20(18)27(15)23(28)31-24(2,3)4)29-14-22-26-19-7-5-6-8-21(19)32-22/h5-10,13H,11-12,14,25H2,1-4H3