5-(phenylmethyl)-8-sulfanylidene-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

Systemtic Name: 5-(phenylmethyl)-8-sulfanylidene-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid Openeye Name: 5-benzyl-8-thioxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid CAS Name: 5-(phenylmethyl)-8-sulfanylidene-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid IUPAC Name: 5-benzyl-8-sulfanylidene-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid Traditional Name: 5-benzyl-8-thioxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=S)C(=CN3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=S)C(=CN3CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H13NO4S/c20-18(21)13-9-19(8-11-4-2-1-3-5-11)14-7-16-15(22-10-23-16)6-12(14)17(13)24/h1-7,9H,8,10H2,(H,20,21)