(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)C3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)C3=CSC=C3)C

InChI

InChI=1S/C21H21NO5S/c1-13-8-17-16(10-20(24)27-18(17)9-14(13)2)11-26-19(23)4-3-6-22-21(25)15-5-7-28-12-15/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,22,25)