ethyl 2-azanyl-4-[(4-chlorophenyl)methylsulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[(4-chlorophenyl)methylsulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-chlorophenyl)methylsulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(4-chlorophenyl)methylthio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(4-chlorophenyl)methylsulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(4-chlorobenzyl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H19ClN2O3S2 MolecularWeight: 398.92736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSCC2=CC=C(C=C2)Cl)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSCC2=CC=C(C=C2)Cl)C(=O)NC)N

InChI

InChI=1S/C17H19ClN2O3S2/c1-3-23-17(22)13-12(14(16(21)20-2)25-15(13)19)9-24-8-10-4-6-11(18)7-5-10/h4-7H,3,8-9,19H2,1-2H3,(H,20,21)