methyl 4-[2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-6,7-dimethyl-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:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

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