methyl 4-chloranyl-3-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[2-(2-oxopyrrolidin-1-yl)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[2-(2-oxo-1-pyrrolidinyl)-4-thiazolyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[2-(2-ketopyrrolidino)thiazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CSC(=N2)N3CCCC3=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC2=CSC(=N2)N3CCCC3=O

InChI

InChI=1S/C17H16ClN3O4S/c1-25-16(24)10-4-5-12(18)13(7-10)20-14(22)8-11-9-26-17(19-11)21-6-2-3-15(21)23/h4-5,7,9H,2-3,6,8H2,1H3,(H,20,22)