[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C21H18ClNO7S MolecularWeight: 463.88812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H18ClNO7S/c1-2-28-21(27)23-13-3-4-14-12(9-20(26)30-16(14)10-13)11-29-19(25)8-5-15(24)17-6-7-18(22)31-17/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,23,27)