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

Systemtic Name: ethyl N-[[2-(4-phenylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c1-2-28-22(27)24-20(26)19-16-11-6-7-12-17(16)30-21(19)23-18(25)13-8-14-29-15-9-4-3-5-10-15/h3-5,9-10H,2,6-8,11-14H2,1H3,(H,23,25)(H,24,26,27)