4-oxidanylidene-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxylic acid Openeye Name: 1-[(4-isopropylthiazol-2-yl)methyl]-4-oxo-cinnoline-3-carboxylic acid CAS Name: 4-oxo-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-cinnolinecarboxylic acid IUPAC Name: 4-oxo-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxylic acid Traditional Name: 1-[(4-isopropylthiazol-2-yl)methyl]-4-keto-cinnoline-3-carboxylic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)CN2C3=CC=CC=C3C(=O)C(=N2)C(=O)O

Isomeric SMILES

CC(C)C1=CSC(=N1)CN2C3=CC=CC=C3C(=O)C(=N2)C(=O)O

InChI

InChI=1S/C16H15N3O3S/c1-9(2)11-8-23-13(17-11)7-19-12-6-4-3-5-10(12)15(20)14(18-19)16(21)22/h3-6,8-9H,7H2,1-2H3,(H,21,22)