sodium 2-[(Z)-N-[(5-chloranylthiophen-2-yl)methoxy]-C-methyl-carbonimidoyl]-3-oxidanylidene-5-(thian-3-yl)cyclohexen-1-olate

Systemtic Name: sodium 2-[(Z)-N-[(5-chloranylthiophen-2-yl)methoxy]-C-methyl-carbonimidoyl]-3-oxidanylidene-5-(thian-3-yl)cyclohexen-1-olate Openeye Name: sodium 2-[(Z)-N-[(5-chloro-2-thienyl)methoxy]-C-methyl-carbonimidoyl]-3-oxo-5-tetrahydrothiopyran-3-yl-cyclohexen-1-olate CAS Name: sodium 2-[(1Z)-1-[(5-chloro-2-thiophenyl)methoxyimino]ethyl]-3-oxo-5-(3-thianyl)-1-cyclohexenolate IUPAC Name: sodium 2-[(Z)-N-[(5-chlorothiophen-2-yl)methoxy]-C-methylcarbonimidoyl]-3-oxo-5-(thian-3-yl)cyclohexen-1-olate Traditional Name: sodium 2-[(Z)-N-[(5-chloro-2-thienyl)methoxy]-C-methyl-carbonimidoyl]-3-keto-5-tetrahydrothiopyran-3-yl-cyclohexen-1-olate Formula: C18H21ClNNaO3S2 MolecularWeight: 421.93701

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC1=CC=C(S1)Cl)C2=C(CC(CC2=O)C3CCCSC3)[O-].[Na+]

Isomeric SMILES

C/C(=N/OCC1=CC=C(S1)Cl)/C2=C(CC(CC2=O)C3CCCSC3)[O-].[Na+]

InChI

InChI=1S/C18H22ClNO3S2.Na/c1-11(20-23-9-14-4-5-17(19)25-14)18-15(21)7-13(8-16(18)22)12-3-2-6-24-10-12;/h4-5,12-13,21H,2-3,6-10H2,1H3;/q;+1/p-1/b20-11-;