ethyl 3-azanyl-4-(4-chlorophenyl)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(4-chlorophenyl)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(4-chlorophenyl)-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-oxoethyl)thio]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(4-chlorophenyl)-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate Traditional Name: 3-amino-4-(4-chlorophenyl)-5-[(2-ethoxy-2-keto-ethyl)thio]thiophene-2-carboxylic acid ethyl ester Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)C2=CC=C(C=C2)Cl

InChI

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