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

Systemtic Name: methyl 2-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylpyrrol-1-yl]benzoate Openeye Name: methyl 2-[2-(2-methoxy-2-oxo-ethyl)sulfanylpyrrol-1-yl]benzoate CAS Name: 2-[2-[(2-methoxy-2-oxoethyl)thio]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanylpyrrol-1-yl]benzoate Traditional Name: 2-[2-[(2-keto-2-methoxy-ethyl)thio]pyrrol-1-yl]benzoic acid methyl ester Formula: C15H15NO4S MolecularWeight: 305.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=CN1C2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC(=O)CSC1=CC=CN1C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C15H15NO4S/c1-19-14(17)10-21-13-8-5-9-16(13)12-7-4-3-6-11(12)15(18)20-2/h3-9H,10H2,1-2H3