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

Systemtic Name: ethyl N-[[2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: ethyl N-[2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[(1-oxo-3-phenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-(hydrocinnamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-2-27-21(26)23-19(25)18-15-10-6-7-11-16(15)28-20(18)22-17(24)13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,22,24)(H,23,25,26)