(4Z)-5-methyl-1,1-bis(oxidanylidene)-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylic acid

Systemtic Name: (4Z)-5-methyl-1,1-bis(oxidanylidene)-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylic acid Openeye Name: (4Z)-5-methyl-1,1-dioxo-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylic acid CAS Name: (4Z)-5-methyl-1,1-dioxo-4-prop-2-ynoxyimino-2,3-dihydro-1-benzothiopyran-6-carboxylic acid IUPAC Name: (4Z)-5-methyl-1,1-dioxo-4-prop-2-ynoxyimino-2,3-dihydrothiochromene-6-carboxylic acid Traditional Name: (4Z)-1,1-diketo-5-methyl-4-propargyloximino-2,3-dihydrothiochromene-6-carboxylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NOCC#C)CCS2(=O)=O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1/C(=N\OCC#C)/CCS2(=O)=O)C(=O)O

InChI

InChI=1S/C14H13NO5S/c1-3-7-20-15-11-6-8-21(18,19)12-5-4-10(14(16)17)9(2)13(11)12/h1,4-5H,6-8H2,2H3,(H,16,17)/b15-11-