(2S)-2-(4-tert-butylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-tert-butylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-tert-butylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-tert-butylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-tert-butylphenyl)-2-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C27H23N2O4S2- MolecularWeight: 503.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OC)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OC)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C27H24N2O4S2/c1-27(2,3)16-9-7-15(8-10-16)22-21(23(30)19-6-5-13-34-19)24(31)25(32)29(22)26-28-18-12-11-17(33-4)14-20(18)35-26/h5-14,22,31H,1-4H3/p-1/t22-/m0/s1