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

Systemtic Name: ethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-4-(phenylthio)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Traditional Name: 3-methyl-5-[4-(phenylthio)butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CCCSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCCSC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO3S2/c1-3-22-18(21)17-13(2)12-16(24-17)19-15(20)10-7-11-23-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20)