[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c24-17(23-20(26)21-12-14-6-5-11-27-14)13-28-19(25)10-4-3-9-18-22-15-7-1-2-8-16(15)29-18/h1-2,5-8,11H,3-4,9-10,12-13H2,(H2,21,23,24,26)