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

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C14H15N5O6S2 MolecularWeight: 413.4288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CSC2=NN=C(S2)N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CSC2=NN=C(S2)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O6S2/c1-7-3-9(19(22)23)10(24-2)4-8(7)16-11(20)5-25-12(21)6-26-14-18-17-13(15)27-14/h3-4H,5-6H2,1-2H3,(H2,15,17)(H,16,20)