methyl N-[[2-(4-phenylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate

Systemtic Name: methyl N-[[2-(4-phenylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: methyl N-[2-(4-phenylsulfanylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-4-(phenylthio)butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-phenylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-[4-(phenylthio)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S2/c1-27-21(26)23-19(25)18-15-10-5-6-11-16(15)29-20(18)22-17(24)12-7-13-28-14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H,22,24)(H,23,25,26)