(2-oxidanylideneazepan-3-yl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (2-oxoazepan-3-yl) 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (2-ketoazepan-3-yl) ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C17H18N2O3S2/c20-16-15(3-1-2-8-18-16)22-17(21)12-4-6-14(7-5-12)24-10-13-9-23-11-19-13/h4-7,9,11,15H,1-3,8,10H2,(H,18,20)