methyl 4-[2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(7-ethyl-2-keto-chromen-4-yl)methylthio]acetyl]amino]benzoic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21NO5S/c1-3-14-4-9-18-16(11-21(25)28-19(18)10-14)12-29-13-20(24)23-17-7-5-15(6-8-17)22(26)27-2/h4-11H,3,12-13H2,1-2H3,(H,23,24)