diethyl 2-[[5-azanyl-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]methyl]propanedioate

Systemtic Name: diethyl 2-[[5-azanyl-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]methyl]propanedioate Openeye Name: diethyl 2-[[5-amino-4-(2-chlorobenzoyl)-2-thienyl]methyl]propanedioate CAS Name: 2-[[5-amino-4-[(2-chlorophenyl)-oxomethyl]-2-thiophenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]methyl]propanedioate Traditional Name: 2-[[5-amino-4-(2-chlorobenzoyl)-2-thienyl]methyl]malonic acid diethyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C19H20ClNO5S/c1-3-25-18(23)14(19(24)26-4-2)10-11-9-13(17(21)27-11)16(22)12-7-5-6-8-15(12)20/h5-9,14H,3-4,10,21H2,1-2H3