[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H16N2O4S/c20-15(18-10-12-4-3-9-22-12)11-23-17(21)8-7-16-19-13-5-1-2-6-14(13)24-16/h1-6,9H,7-8,10-11H2,(H,18,20)