ethyl 3-[(3-methylsulfanylphenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(3-methylsulfanylphenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-methylsulfanylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[3-(methylthio)phenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[3-(methylthio)benzoyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H19NO3S2/c1-3-25-21(24)19-17(13-18(27-19)14-8-5-4-6-9-14)22-20(23)15-10-7-11-16(12-15)26-2/h4-13H,3H2,1-2H3,(H,22,23)