ethyl 2-[2-(1-methylindol-3-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-methylindol-3-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-methylindol-3-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(1-methyl-3-indolyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-methylindol-3-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(1-methylindol-3-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C22H24N2O3S2/c1-3-27-22(26)20-15-9-5-7-11-17(15)29-21(20)23-19(25)13-28-18-12-24(2)16-10-6-4-8-14(16)18/h4,6,8,10,12H,3,5,7,9,11,13H2,1-2H3,(H,23,25)