3-chloranylsulfinyl-5-methoxy-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-chloranylsulfinyl-5-methoxy-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-chlorosulfinyl-5-methoxy-indole-2-carboxylic acid CAS Name: 3-chlorosulfinyl-5-methoxy-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-chlorosulfinyl-5-methoxyindole-2-carboxylic acid Traditional Name: 1-benzyl-3-chlorosulfinyl-5-methoxy-indole-2-carboxylic acid Formula: C17H14ClNO4S MolecularWeight: 363.81536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2S(=O)Cl)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2S(=O)Cl)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C17H14ClNO4S/c1-23-12-7-8-14-13(9-12)16(24(18)22)15(17(20)21)19(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)