[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C21H17NO4S2/c1-27-15-6-4-5-14(10-15)22-19(23)12-26-21(24)18-9-13-11-25-17-8-3-2-7-16(17)20(13)28-18/h2-10H,11-12H2,1H3,(H,22,23)