diethyl 5-azanyl-3-[(4-chlorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-chlorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-chlorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-chlorophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-chlorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-chlorophenyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC)N

InChI

InChI=1S/C17H18ClNO4S2/c1-3-22-16(20)13-12(9-24-11-7-5-10(18)6-8-11)14(25-15(13)19)17(21)23-4-2/h5-8H,3-4,9,19H2,1-2H3