ethyl (5E)-3-[(4-chlorophenyl)methylsulfanyl]-5-(dimethylaminomethylidene)-4-oxidanylidene-6,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl (5E)-3-[(4-chlorophenyl)methylsulfanyl]-5-(dimethylaminomethylidene)-4-oxidanylidene-6,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl (5E)-3-[(4-chlorophenyl)methylsulfanyl]-5-(dimethylaminomethylene)-4-oxo-6,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: (5E)-3-[(4-chlorophenyl)methylthio]-5-(dimethylaminomethylidene)-4-oxo-6,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-3-[(4-chlorophenyl)methylsulfanyl]-5-(dimethylaminomethylidene)-4-oxo-6,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: (5E)-3-[(4-chlorobenzyl)thio]-5-(dimethylaminomethylene)-4-keto-6,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C21H22ClNO3S2 MolecularWeight: 435.98728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(=CN(C)C)C(=O)C2=C(S1)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C2CC/C(=C\N(C)C)/C(=O)C2=C(S1)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3S2/c1-4-26-20(25)19-16-10-7-14(11-23(2)3)18(24)17(16)21(28-19)27-12-13-5-8-15(22)9-6-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3/b14-11+