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

Systemtic Name: ethyl 2-azanyl-4-[(2,4-dimethylphenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(2,4-dimethylphenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(2,4-dimethylphenyl)thio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(2,4-dimethylphenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(2,4-dimethylphenyl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-5-23-18(22)14-12(15(17(21)20-4)25-16(14)19)9-24-13-7-6-10(2)8-11(13)3/h6-8H,5,9,19H2,1-4H3,(H,20,21)