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

Systemtic Name: methyl 4-chloranyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate CAS Name: 4-chloro-2-[[oxo-[[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoate Traditional Name: 4-chloro-2-[(5-pyrrolidino-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid methyl ester Formula: C15H16ClN5O3S MolecularWeight: 381.83724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=NN=C(S2)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=NN=C(S2)N3CCCC3

InChI

InChI=1S/C15H16ClN5O3S/c1-24-12(22)10-5-4-9(16)8-11(10)17-13(23)18-14-19-20-15(25-14)21-6-2-3-7-21/h4-5,8H,2-3,6-7H2,1H3,(H2,17,18,19,23)