6-[5-[[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1,2-thiazol-4-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[5-[[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1,2-thiazol-4-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[5-[[1-(cyanomethylcarbamoyl)-3-methyl-butyl]amino]-3-methyl-isothiazol-4-yl]naphthalene-2-carboxylic acid CAS Name: 6-[5-[[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-4-isothiazolyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[5-[[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1,2-thiazol-4-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[5-[[1-(cyanomethylcarbamoyl)-3-methyl-butyl]amino]-3-methyl-isothiazol-4-yl]-2-naphthoic acid Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C23H24N4O3S/c1-13(2)10-19(21(28)25-9-8-24)26-22-20(14(3)27-31-22)17-6-4-16-12-18(23(29)30)7-5-15(16)11-17/h4-7,11-13,19,26H,9-10H2,1-3H3,(H,25,28)(H,29,30)