methylamino-(2-quinolin-8-ylsulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene)methanolate

Systemtic Name: methylamino-(2-quinolin-8-ylsulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene)methanolate Openeye Name: methylamino-[2-(8-quinolylsulfonylimino)-4,5,6,7-tetrahydrobenzothiophen-3-ylidene]methanolate CAS Name: methylamino-[2-(8-quinolinylsulfonylimino)-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene]methanolate IUPAC Name: methylamino-(2-quinolin-8-ylsulfonylimino-4,5,6,7-tetrahydro-1-benzothiophen-3-ylidene)methanolate Traditional Name: methylamino-[2-(8-quinolylsulfonylimino)-4,5,6,7-tetrahydrobenzothiophen-3-ylidene]methanolate Formula: C19H18N3O3S2- MolecularWeight: 400.49452

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C1C2=C(CCCC2)SC1=NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)[O-]

Isomeric SMILES

CNC(=C1C2=C(CCCC2)SC1=NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)[O-]

InChI

InChI=1S/C19H19N3O3S2/c1-20-18(23)16-13-8-2-3-9-14(13)26-19(16)22-27(24,25)15-10-4-6-12-7-5-11-21-17(12)15/h4-7,10-11,20,23H,2-3,8-9H2,1H3/p-1