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

Systemtic Name: ethyl 2-azanyl-4-[(4-tert-butylphenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-tert-butylphenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(4-tert-butylphenyl)thio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(4-tert-butylphenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(4-tert-butylphenyl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-6-25-19(24)15-14(16(18(23)22-5)27-17(15)21)11-26-13-9-7-12(8-10-13)20(2,3)4/h7-10H,6,11,21H2,1-5H3,(H,22,23)