[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 6-chloranyl-2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H18ClNO4S/c1-2-9-28-19-6-4-3-5-17(19)23-20(24)13-27-21(25)15-10-14-11-16(22)7-8-18(14)26-12-15/h2-8,10-11H,1,9,12-13H2,(H,23,24)