methyl 4,5-dimethyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=CC=CC=C2)C

InChI

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