[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C20H17NO6S/c1-28-16-4-2-3-14(9-16)21-18(22)11-26-20(24)12-25-15-7-5-13-6-8-19(23)27-17(13)10-15/h2-10H,11-12H2,1H3,(H,21,22)