ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]thiomorpholine-3-carboxylate CAS Name: 4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]thiomorpholine-3-carboxylate Traditional Name: 4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C21H22ClNO3S2 MolecularWeight: 435.98728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3S2/c1-2-26-21(25)19-14-27-12-11-23(19)20(24)16-5-3-15(4-6-16)13-28-18-9-7-17(22)8-10-18/h3-10,19H,2,11-14H2,1H3