methyl 4-(4-ethylphenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[[2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S2/c1-3-15-9-11-16(12-10-15)18-13-28-21(20(18)22(25)26-2)23-19(24)14-27-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,23,24)