methyl 3-[[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(5-p-anisyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16N4O6S/c1-28-15-5-3-11(4-6-15)7-16-21-22-19(30-16)20-17(24)12-8-13(18(25)29-2)10-14(9-12)23(26)27/h3-6,8-10H,7H2,1-2H3,(H,20,22,24)