2-(9-sulfanylcarbonylacridin-1-yl)ethanoic acid

Systemtic Name: 2-(9-sulfanylcarbonylacridin-1-yl)ethanoic acid Openeye Name: 2-(9-sulfanylcarbonylacridin-1-yl)acetic acid CAS Name: 2-[9-[mercapto(oxo)methyl]-1-acridinyl]acetic acid IUPAC Name: 2-(9-sulfanylcarbonylacridin-1-yl)acetic acid Traditional Name: 2-(9-thiocarboxyacridin-1-yl)acetic acid Formula: C16H11NO3S MolecularWeight: 297.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3CC(=O)O)C(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3CC(=O)O)C(=O)S

InChI

InChI=1S/C16H11NO3S/c18-13(19)8-9-4-3-7-12-14(9)15(16(20)21)10-5-1-2-6-11(10)17-12/h1-7H,8H2,(H,18,19)(H,20,21)