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

Systemtic Name: methyl 3-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H14N4O6S2 MolecularWeight: 410.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)SCC(=O)N

InChI

InChI=1S/C15H14N4O6S2/c1-7-14(26-6-11(16)20)27-15(17-7)18-12(21)8-3-9(13(22)25-2)5-10(4-8)19(23)24/h3-5H,6H2,1-2H3,(H2,16,20)(H,17,18,21)