methyl 4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C13H15N3O6S/c1-21-10-4-3-8(16(19)20)7-9(10)14-13(23)15-11(17)5-6-12(18)22-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17,23)