1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methylbutoxy)phenyl]-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=CC=C5)OCCC(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=CC=C5)OCCC(C)C

InChI

InChI=1S/C29H28N2O5S2/c1-4-35-20-10-11-21-23(16-20)38-29(30-21)31-25(18-7-5-8-19(15-18)36-13-12-17(2)3)24(27(33)28(31)34)26(32)22-9-6-14-37-22/h5-11,14-17,25,33H,4,12-13H2,1-3H3