ethyl 2-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(2-phenyl-1H-indol-3-yl)thio]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(2-phenyl-1H-indol-3-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3S2/c1-3-33-28(32)23-20-14-8-10-16-22(20)35-27(23)30-26(31)17(2)34-25-19-13-7-9-15-21(19)29-24(25)18-11-5-4-6-12-18/h4-7,9,11-13,15,17,29H,3,8,10,14,16H2,1-2H3,(H,30,31)