2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C

InChI

InChI=1S/C22H22N2O3S2/c1-4-26-16-7-8-19-21(11-16)29-22(23-19)28-13-20(25)18-10-14(2)24(15(18)3)12-17-6-5-9-27-17/h5-11H,4,12-13H2,1-3H3