1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-enoxy-phenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-enoxy-phenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(4-allyloxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-allyloxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C29H26N2O5S2 MolecularWeight: 546.65714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCC=C

InChI

InChI=1S/C29H26N2O5S2/c1-5-11-36-19-10-9-18(15-20(19)35-6-2)25-23(26(32)21-8-7-12-37-21)27(33)28(34)31(25)29-30-24-17(4)13-16(3)14-22(24)38-29/h5,7-10,12-15,25,33H,1,6,11H2,2-4H3