O1-ethyl O3-methyl 2-[5-azanyl-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]-2-ethyl-propanedioate

Systemtic Name: O1-ethyl O3-methyl 2-[5-azanyl-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]-2-ethyl-propanedioate Openeye Name: O1-ethyl O3-methyl 2-[5-amino-4-(2-chlorobenzoyl)-2-thienyl]-2-ethyl-propanedioate CAS Name: 2-[5-amino-4-[(2-chlorophenyl)-oxomethyl]-2-thiophenyl]-2-ethylpropanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]-2-ethylpropanedioate Traditional Name: 2-[5-amino-4-(2-chlorobenzoyl)-2-thienyl]-2-ethyl-malonic acid O1-ethyl ester O3-methyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl)(C(=O)OC)C(=O)OCC

Isomeric SMILES

CCC(C1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl)(C(=O)OC)C(=O)OCC

InChI

InChI=1S/C19H20ClNO5S/c1-4-19(17(23)25-3,18(24)26-5-2)14-10-12(16(21)27-14)15(22)11-8-6-7-9-13(11)20/h6-10H,4-5,21H2,1-3H3