2-methoxyethyl 4-[(2-methyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-methyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(2-methyl-4-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-methyl-4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methyl-4-nitro-phenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C15H19N3O6S MolecularWeight: 369.39286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C15H19N3O6S/c1-10-9-11(18(21)22)3-4-12(10)16-15(25)17-13(19)5-6-14(20)24-8-7-23-2/h3-4,9H,5-8H2,1-2H3,(H2,16,17,19,25)