methyl 4-[1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C24H15ClN2O5S2 MolecularWeight: 510.9693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC=CS5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H15ClN2O5S2/c1-32-23(31)13-6-4-12(5-7-13)19-18(20(28)16-3-2-10-33-16)21(29)22(30)27(19)24-26-15-9-8-14(25)11-17(15)34-24/h2-11,19,29H,1H3