4-[4-(3-methoxythiophen-2-yl)oxyphenoxy]-3-oxidanylidene-2-(1H-pyrrol-2-ylcarbonyl)pentanenitrile

Systemtic Name: 4-[4-(3-methoxythiophen-2-yl)oxyphenoxy]-3-oxidanylidene-2-(1H-pyrrol-2-ylcarbonyl)pentanenitrile Openeye Name: 4-[4-[(3-methoxy-2-thienyl)oxy]phenoxy]-3-oxo-2-(1H-pyrrole-2-carbonyl)pentanenitrile CAS Name: 4-[4-[(3-methoxy-2-thiophenyl)oxy]phenoxy]-3-oxo-2-[oxo(1H-pyrrol-2-yl)methyl]pentanenitrile IUPAC Name: 4-[4-(3-methoxythiophen-2-yl)oxyphenoxy]-3-oxo-2-(1H-pyrrole-2-carbonyl)pentanenitrile Traditional Name: 3-keto-4-[4-[(3-methoxy-2-thienyl)oxy]phenoxy]-2-(1H-pyrrole-2-carbonyl)valeronitrile Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C(=O)C1=CC=CN1)OC2=CC=C(C=C2)OC3=C(C=CS3)OC

Isomeric SMILES

CC(C(=O)C(C#N)C(=O)C1=CC=CN1)OC2=CC=C(C=C2)OC3=C(C=CS3)OC

InChI

InChI=1S/C21H18N2O5S/c1-13(19(24)16(12-22)20(25)17-4-3-10-23-17)27-14-5-7-15(8-6-14)28-21-18(26-2)9-11-29-21/h3-11,13,16,23H,1-2H3