methoxy-[2-(4-methylsulfanylphenyl)sulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]methanolate

Systemtic Name: methoxy-[2-(4-methylsulfanylphenyl)sulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]methanolate Openeye Name: methoxy-[2-(4-methylsulfanylphenyl)sulfonylimino-4,5,6,7-tetrahydrobenzothiophen-3-ylidene]methanolate CAS Name: methoxy-[2-[4-(methylthio)phenyl]sulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]methanolate IUPAC Name: methoxy-[2-(4-methylsulfanylphenyl)sulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]methanolate Traditional Name: methoxy-[2-[4-(methylthio)phenyl]sulfonylimino-4,5,6,7-tetrahydrobenzothiophen-3-ylidene]methanolate Formula: C17H18NO4S3- MolecularWeight: 396.52412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C2=C(CCCC2)SC1=NS(=O)(=O)C3=CC=C(C=C3)SC)[O-]

Isomeric SMILES

COC(=C1C2=C(CCCC2)SC1=NS(=O)(=O)C3=CC=C(C=C3)SC)[O-]

InChI

InChI=1S/C17H19NO4S3/c1-22-17(19)15-13-5-3-4-6-14(13)24-16(15)18-25(20,21)12-9-7-11(23-2)8-10-12/h7-10,19H,3-6H2,1-2H3/p-1