ethyl 5-chloranyl-6-[4-[(3-methylsulfanylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(3-methylsulfanylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(3-methylsulfanylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[3-(methylthio)anilino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(3-methylsulfanylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[[3-(methylthio)phenyl]carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC)Cl

InChI

InChI=1S/C20H23ClN4O3S/c1-3-28-19(26)14-11-17(21)18(22-13-14)24-7-9-25(10-8-24)20(27)23-15-5-4-6-16(12-15)29-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,23,27)