[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H22N2O7S/c1-2-29-22(28)24-16-5-6-17-15(10-20(26)31-18(17)11-16)12-30-19(25)4-3-8-23-21(27)14-7-9-32-13-14/h5-7,9-11,13H,2-4,8,12H2,1H3,(H,23,27)(H,24,28)