[(E)-(1-cyano-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-ylidene)amino] 4-chloranylbenzoate

Systemtic Name: [(E)-(1-cyano-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-ylidene)amino] 4-chloranylbenzoate Openeye Name: [(E)-(1-cyano-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-ylidene)amino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(E)-[1-cyano-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-ylidene]amino] ester IUPAC Name: [(E)-(1-cyano-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-ylidene)amino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(E)-[1-cyano-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-ylidene]amino] ester Formula: C17H13ClN2O2S2 MolecularWeight: 376.88032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C#N)CCCC2=NOC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=C\2C(=C(S1)C#N)CCC/C2=N\OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S2/c1-23-17-15-12(14(9-19)24-17)3-2-4-13(15)20-22-16(21)10-5-7-11(18)8-6-10/h5-8H,2-4H2,1H3/b20-13+