methyl 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate

Systemtic Name: methyl 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate Openeye Name: methyl 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate CAS Name: 2-[[oxo-[[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate Traditional Name: 2-[(5-pyrrolidino-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid methyl ester Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCC3

InChI

InChI=1S/C15H17N5O3S/c1-23-12(21)10-6-2-3-7-11(10)16-13(22)17-14-18-19-15(24-14)20-8-4-5-9-20/h2-3,6-7H,4-5,8-9H2,1H3,(H2,16,17,18,22)