O1-tert-butyl O2-methyl 2-[(5-chloranylthiophen-2-yl)methyl]-3H-indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 2-[(5-chloranylthiophen-2-yl)methyl]-3H-indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 2-[(5-chloro-2-thienyl)methyl]indoline-1,2-dicarboxylate CAS Name: 2-[(5-chloro-2-thiophenyl)methyl]-3H-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 2-[(5-chlorothiophen-2-yl)methyl]-3H-indole-1,2-dicarboxylate Traditional Name: 2-[(5-chloro-2-thienyl)methyl]indoline-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(CC3=CC=C(S3)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(CC3=CC=C(S3)Cl)C(=O)OC

InChI

InChI=1S/C20H22ClNO4S/c1-19(2,3)26-18(24)22-15-8-6-5-7-13(15)11-20(22,17(23)25-4)12-14-9-10-16(21)27-14/h5-10H,11-12H2,1-4H3