S-[4-[[3-methyl-3-nitroso-2,4-bis(oxidanylidene)pentyl]amino]phenyl] 2-methylpropanethioate

Systemtic Name: S-[4-[[3-methyl-3-nitroso-2,4-bis(oxidanylidene)pentyl]amino]phenyl] 2-methylpropanethioate Openeye Name: S-[4-[(3-methyl-3-nitroso-2,4-dioxo-pentyl)amino]phenyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[4-[(3-methyl-3-nitroso-2,4-dioxopentyl)amino]phenyl] ester IUPAC Name: S-[4-[(3-methyl-3-nitroso-2,4-dioxopentyl)amino]phenyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[4-[(2,4-diketo-3-methyl-3-nitroso-pentyl)amino]phenyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SC1=CC=C(C=C1)NCC(=O)C(C)(C(=O)C)N=O

Isomeric SMILES

CC(C)C(=O)SC1=CC=C(C=C1)NCC(=O)C(C)(C(=O)C)N=O

InChI

InChI=1S/C16H20N2O4S/c1-10(2)15(21)23-13-7-5-12(6-8-13)17-9-14(20)16(4,18-22)11(3)19/h5-8,10,17H,9H2,1-4H3