1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-2-(4-pentoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-2-(4-pentoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-pentoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2-(4-pentoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-pentoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-amoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C29H28N2O5S2 MolecularWeight: 548.67302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OCC)O)C(=O)C5=CC=CS5

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OCC)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H28N2O5S2/c1-3-5-6-15-36-19-11-9-18(10-12-19)25-24(26(32)22-8-7-16-37-22)27(33)28(34)31(25)29-30-21-14-13-20(35-4-2)17-23(21)38-29/h7-14,16-17,25,33H,3-6,15H2,1-2H3