ethyl 3-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H16N4O6S2 MolecularWeight: 424.45144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6S2/c1-3-26-14(23)10-4-9(5-11(6-10)20(24)25)13(22)19-16-18-8(2)15(28-16)27-7-12(17)21/h4-6H,3,7H2,1-2H3,(H2,17,21)(H,18,19,22)