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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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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)C(C)COC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=C(N(C(=C3)C)C(C)COC)C

InChI

InChI=1S/C21H26N2O3S2/c1-6-26-16-7-8-18-20(10-16)28-21(22-18)27-12-19(24)17-9-13(2)23(15(17)4)14(3)11-25-5/h7-10,14H,6,11-12H2,1-5H3