methyl 2-(4-chlorophenyl)-2-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]acetic acid methyl ester Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C19H20ClN3O3S/c1-26-19(25)16(13-4-6-14(20)7-5-13)22-9-11-23(12-10-22)18(24)15-3-2-8-21-17(15)27/h2-8,16H,9-12H2,1H3,(H,21,27)