2-[[4-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzyl]thio]nicotinic acid Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)CSC4=C(C=CC=N4)C(=O)O)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)CSC4=C(C=CC=N4)C(=O)O)OCO2

InChI

InChI=1S/C23H18N2O6S/c1-13(26)17-9-19-20(31-12-30-19)10-18(17)25-21(27)15-6-4-14(5-7-15)11-32-22-16(23(28)29)3-2-8-24-22/h2-10H,11-12H2,1H3,(H,25,27)(H,28,29)