[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-oxo-2-ureido-ethyl) 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S/c1-29-14-7-6-10(8-13(14)21(26)27)16(23)11-4-2-3-5-12(11)17(24)28-9-15(22)20-18(19)25/h2-8H,9H2,1H3,(H3,19,20,22,25)