[2-[[5-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate

Systemtic Name: [2-[[5-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate Openeye Name: [2-[[5-[(1,1-dimethyl-3-oxo-butyl)amino]thiazol-2-yl]carbamoyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[5-[(2-methyl-4-oxopentan-2-yl)amino]-2-thiazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[5-[(2-methyl-4-oxopentan-2-yl)amino]-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[5-[(3-keto-1,1-dimethyl-butyl)amino]thiazol-2-yl]carbamoyl]phenyl] ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC1=CN=C(S1)NC(=O)C2=CC=CC=C2OS(=O)(=O)C

Isomeric SMILES

CC(=O)CC(C)(C)NC1=CN=C(S1)NC(=O)C2=CC=CC=C2OS(=O)(=O)C

InChI

InChI=1S/C17H21N3O5S2/c1-11(21)9-17(2,3)20-14-10-18-16(26-14)19-15(22)12-7-5-6-8-13(12)25-27(4,23)24/h5-8,10,20H,9H2,1-4H3,(H,18,19,22)