ethyl 2-[2-[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H19N3O6S2/c1-4-26-15(21)7-11-9-27-17(18-11)28-10(2)16(22)19-13-8-12(20(23)24)5-6-14(13)25-3/h5-6,8-10H,4,7H2,1-3H3,(H,19,22)