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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=C(C=C5)OCCC(C)C)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=C(C=C5)OCCC(C)C)OC

InChI

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