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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H18ClNO5S MolecularWeight: 419.87862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNC(=O)C3=CSC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNC(=O)C3=CSC=C3)Cl

InChI

InChI=1S/C20H18ClNO5S/c1-12-7-17-15(9-16(12)21)14(8-19(24)27-17)10-26-18(23)3-2-5-22-20(25)13-4-6-28-11-13/h4,6-9,11H,2-3,5,10H2,1H3,(H,22,25)