methyl 2-[2-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)sulfanylpyrrol-1-yl]benzoate

Systemtic Name: methyl 2-[2-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)sulfanylpyrrol-1-yl]benzoate Openeye Name: methyl 2-[2-(2-methoxy-2-oxo-1-phenyl-ethyl)sulfanylpyrrol-1-yl]benzoate CAS Name: 2-[2-[(2-methoxy-2-oxo-1-phenylethyl)thio]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-methoxy-2-oxo-1-phenylethyl)sulfanylpyrrol-1-yl]benzoate Traditional Name: 2-[2-[(2-keto-2-methoxy-1-phenyl-ethyl)thio]pyrrol-1-yl]benzoic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=CC=C2SC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=CC=C2SC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19NO4S/c1-25-20(23)16-11-6-7-12-17(16)22-14-8-13-18(22)27-19(21(24)26-2)15-9-4-3-5-10-15/h3-14,19H,1-2H3