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

Systemtic Name: ethyl N-[[2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: ethyl N-[2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-2-26-20(25)22-18(24)17-14-10-6-7-11-15(14)28-19(17)21-16(23)12-27-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,21,23)(H,22,24,25)