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

Systemtic Name: ethyl 2-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2-methyl-1H-indol-3-yl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(2-methyl-1H-indol-3-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S2/c1-4-28-23(27)19-16-10-6-8-12-18(16)30-22(19)25-21(26)14(3)29-20-13(2)24-17-11-7-5-9-15(17)20/h5,7,9,11,14,24H,4,6,8,10,12H2,1-3H3,(H,25,26)