ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(2,4,6-trimethylphenyl)sulfanylmethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(2,4,6-trimethylphenyl)sulfanylmethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2,4,6-trimethylphenyl)sulfanylmethyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(2,4,6-trimethylphenyl)thio]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2,4,6-trimethylphenyl)sulfanylmethyl]thiophene-3-carboxylate Traditional Name: 2-amino-4-[(mesitylthio)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=C(C=C(C=C2C)C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=C(C=C(C=C2C)C)C)C(=O)NC)N

InChI

InChI=1S/C19H24N2O3S2/c1-6-24-19(23)14-13(16(18(22)21-5)26-17(14)20)9-25-15-11(3)7-10(2)8-12(15)4/h7-8H,6,9,20H2,1-5H3,(H,21,22)