methyl 5-phenyl-3-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate CAS Name: 3-[[1-oxo-4-(phenylthio)butyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-3-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[4-(phenylthio)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S2/c1-26-22(25)21-18(15-19(28-21)16-9-4-2-5-10-16)23-20(24)13-8-14-27-17-11-6-3-7-12-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,23,24)