2-[2-(1H-indol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-(1H-indol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C19H18N2O3S/c22-16(9-11-10-20-14-7-3-1-5-12(11)14)21-18-17(19(23)24)13-6-2-4-8-15(13)25-18/h1,3,5,7,10,20H,2,4,6,8-9H2,(H,21,22)(H,23,24)