(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNC(=O)C3=CSC=C3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNC(=O)C3=CSC=C3)Cl

InChI

InChI=1S/C21H20ClNO5S/c1-2-13-8-18-16(10-17(13)22)15(9-20(25)28-18)11-27-19(24)4-3-6-23-21(26)14-5-7-29-12-14/h5,7-10,12H,2-4,6,11H2,1H3,(H,23,26)