3-methyl-2-(2-phenoxyethyl)-5-sulfanylidene-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-methyl-2-(2-phenoxyethyl)-5-sulfanylidene-1,2-thiazole-4-carboxylic acid Openeye Name: 3-methyl-2-(2-phenoxyethyl)-5-thioxo-isothiazole-4-carboxylic acid CAS Name: 3-methyl-2-(2-phenoxyethyl)-5-sulfanylidene-4-isothiazolecarboxylic acid IUPAC Name: 3-methyl-2-(2-phenoxyethyl)-5-sulfanylidene-1,2-thiazole-4-carboxylic acid Traditional Name: 3-methyl-2-(2-phenoxyethyl)-5-thioxo-3-isothiazoline-4-carboxylic acid Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)SN1CCOC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=S)SN1CCOC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13NO3S2/c1-9-11(12(15)16)13(18)19-14(9)7-8-17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)