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

Systemtic Name: ethyl 2-azanyl-4-[(4-chlorophenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-chlorophenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(4-chlorophenyl)thio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(4-chlorophenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(4-chlorophenyl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H17ClN2O3S2 MolecularWeight: 384.90078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3S2/c1-3-22-16(21)12-11(13(15(20)19-2)24-14(12)18)8-23-10-6-4-9(17)5-7-10/h4-7H,3,8,18H2,1-2H3,(H,19,20)