1-[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]-5-phenylmethoxy-indole-3-carboxylic acid

Systemtic Name: 1-[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]-5-phenylmethoxy-indole-3-carboxylic acid Openeye Name: 5-benzyloxy-1-[(Z)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]indole-3-carboxylic acid CAS Name: 1-[(Z)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]-5-phenylmethoxy-3-indolecarboxylic acid IUPAC Name: 1-[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]-5-phenylmethoxyindole-3-carboxylic acid Traditional Name: 5-benzoxy-1-[(Z)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]indole-3-carboxylic acid Formula: C23H17NO5S MolecularWeight: 419.44978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C(=O)O)C(=C4C=CC(=O)C=C4O)S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C(=O)O)/C(=C/4\C=CC(=O)C=C4O)/S

InChI

InChI=1S/C23H17NO5S/c25-15-6-8-17(21(26)10-15)22(30)24-12-19(23(27)28)18-11-16(7-9-20(18)24)29-13-14-4-2-1-3-5-14/h1-12,26,30H,13H2,(H,27,28)/b22-17-