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

Systemtic Name: methyl 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanyl-5-nitro-benzoate CAS Name: 2-[[5-(2-amino-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(2-amino-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)CC(=O)N

InChI

InChI=1S/C14H13N3O5S2/c1-7-11(6-12(15)18)24-14(16-7)23-10-4-3-8(17(20)21)5-9(10)13(19)22-2/h3-5H,6H2,1-2H3,(H2,15,18)