methyl 3-[2-[1-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-2-sulfanylidene-pyrrol-3-yl]phenyl]propanoate

Systemtic Name: methyl 3-[2-[1-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-2-sulfanylidene-pyrrol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[2-[1-(4-chlorophenyl)-5-oxo-4-phenyl-2-thioxo-pyrrol-3-yl]phenyl]propanoate CAS Name: 3-[2-[1-(4-chlorophenyl)-5-oxo-4-phenyl-2-sulfanylidene-3-pyrrolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(4-chlorophenyl)-5-oxo-4-phenyl-2-sulfanylidenepyrrol-3-yl]phenyl]propanoate Traditional Name: 3-[2-[1-(4-chlorophenyl)-5-keto-4-phenyl-2-thioxo-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C26H20ClNO3S MolecularWeight: 461.9599

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C2=C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C2=C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H20ClNO3S/c1-31-22(29)16-11-17-7-5-6-10-21(17)24-23(18-8-3-2-4-9-18)25(30)28(26(24)32)20-14-12-19(27)13-15-20/h2-10,12-15H,11,16H2,1H3