2-methoxyethyl 4-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-methyl-3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C15H19N3O6S MolecularWeight: 369.39286

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