2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)ethanone Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H22N2O3S/c1-4-27-18-11-9-17(10-12-18)25-15(2)13-19(16(25)3)21(26)14-29-23-24-20-7-5-6-8-22(20)28-23/h5-13H,4,14H2,1-3H3