2-[(5-chloranylthiophen-2-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indole-2-carboxylic acid

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indole-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-2-[(5-chloro-2-thienyl)methyl]indoline-2-carboxylic acid CAS Name: 2-[(5-chloro-2-thiophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3H-indole-2-carboxylic acid IUPAC Name: 2-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indole-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-2-[(5-chloro-2-thienyl)methyl]indoline-2-carboxylic acid Formula: C19H20ClNO4S MolecularWeight: 393.8844

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-18(2,3)25-17(24)21-14-7-5-4-6-12(14)10-19(21,16(22)23)11-13-8-9-15(20)26-13/h4-9H,10-11H2,1-3H3,(H,22,23)