ethyl 3-[(4-chlorophenyl)sulfonylamino]-2-cyano-3-(phenylmethylsulfanyl)prop-2-enoate

Systemtic Name: ethyl 3-[(4-chlorophenyl)sulfonylamino]-2-cyano-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: ethyl 3-benzylsulfanyl-3-[(4-chlorophenyl)sulfonylamino]-2-cyano-prop-2-enoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]-2-cyano-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-3-[(4-chlorophenyl)sulfonylamino]-2-cyanoprop-2-enoate Traditional Name: 3-(benzylthio)-3-[(4-chlorophenyl)sulfonylamino]-2-cyano-acrylic acid ethyl ester Formula: C19H17ClN2O4S2 MolecularWeight: 436.93228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C19H17ClN2O4S2/c1-2-26-19(23)17(12-21)18(27-13-14-6-4-3-5-7-14)22-28(24,25)16-10-8-15(20)9-11-16/h3-11,22H,2,13H2,1H3