2-[(10-methyl-9-oxidanylidene-acridin-4-yl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(10-methyl-9-oxidanylidene-acridin-4-yl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[(10-methyl-9-oxo-4-acridinyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(9-keto-10-methyl-acridine-4-carbonyl)amino]-3-mercapto-propionic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CS)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-20-14-8-3-2-5-10(14)16(21)11-6-4-7-12(15(11)20)17(22)19-13(9-25)18(23)24/h2-8,13,25H,9H2,1H3,(H,19,22)(H,23,24)