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

Systemtic Name: methyl 3-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-methyl-carbamoyl]-5-ethanoyl-benzoate Openeye Name: methyl 3-acetyl-5-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-methyl-carbamoyl]benzoate CAS Name: 3-acetyl-5-[[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-acetyl-5-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-methylcarbamoyl]benzoate Traditional Name: 3-acetyl-5-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-methyl-carbamoyl]benzoic acid methyl ester Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)N(C)C2=NN=C(S2)CN

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)N(C)C2=NN=C(S2)CN

InChI

InChI=1S/C15H16N4O4S/c1-8(20)9-4-10(6-11(5-9)14(22)23-3)13(21)19(2)15-18-17-12(7-16)24-15/h4-6H,7,16H2,1-3H3