diethyl 2-[(2-aminophenyl)sulfanyl-thiophen-2-yl-methyl]propanedioate

Systemtic Name: diethyl 2-[(2-aminophenyl)sulfanyl-thiophen-2-yl-methyl]propanedioate Openeye Name: diethyl 2-[(2-aminophenyl)sulfanyl-(2-thienyl)methyl]propanedioate CAS Name: 2-[[(2-aminophenyl)thio]-thiophen-2-ylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-aminophenyl)sulfanyl-thiophen-2-ylmethyl]propanedioate Traditional Name: 2-[[(2-aminophenyl)thio]-(2-thienyl)methyl]malonic acid diethyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CS1)SC2=CC=CC=C2N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CS1)SC2=CC=CC=C2N)C(=O)OCC

InChI

InChI=1S/C18H21NO4S2/c1-3-22-17(20)15(18(21)23-4-2)16(14-10-7-11-24-14)25-13-9-6-5-8-12(13)19/h5-11,15-16H,3-4,19H2,1-2H3