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

Systemtic Name: ethyl 2-[2-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-3-24-15(21)7-11-8-25-16(17-11)26-9-14(20)18-13-5-4-12(19(22)23)6-10(13)2/h4-6,8H,3,7,9H2,1-2H3,(H,18,20)