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

Systemtic Name: 2-methoxyethyl 4-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O7S/c1-23-7-8-25-14(20)6-5-13(19)17-15(26)16-11-4-3-10(24-2)9-12(11)18(21)22/h3-4,9H,5-8H2,1-2H3,(H2,16,17,19,26)