[4-(methoxycarbonylamino)thiolan-3-yl] 4-bromanylbenzoate

Systemtic Name: [4-(methoxycarbonylamino)thiolan-3-yl] 4-bromanylbenzoate Openeye Name: [4-(methoxycarbonylamino)tetrahydrothiophen-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(methoxycarbonylamino)-3-thiolanyl] ester IUPAC Name: [4-(methoxycarbonylamino)thiolan-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(carbomethoxyamino)tetrahydrothiophen-3-yl] ester Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1CSCC1OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)NC1CSCC1OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrNO4S/c1-18-13(17)15-10-6-20-7-11(10)19-12(16)8-2-4-9(14)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,17)