O1-tert-butyl O3-ethyl 2-sulfanylindole-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-ethyl 2-sulfanylindole-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-ethyl 2-sulfanylindole-1,3-dicarboxylate CAS Name: 2-mercaptoindole-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester IUPAC Name: 1-O-tert-butyl 3-O-ethyl 2-sulfanylindole-1,3-dicarboxylate Traditional Name: 2-mercaptoindole-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)S

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)S

InChI

InChI=1S/C16H19NO4S/c1-5-20-14(18)12-10-8-6-7-9-11(10)17(13(12)22)15(19)21-16(2,3)4/h6-9,22H,5H2,1-4H3