methyl 2-[2-[(3-ethynylphenyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3-ethynylphenyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-ethynylanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-ethynylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethynylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-ethynylanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNC3=CC=CC(=C3)C#C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H20N2O3S/c1-3-13-7-6-8-14(11-13)21-12-17(23)22-19-18(20(24)25-2)15-9-4-5-10-16(15)26-19/h1,6-8,11,21H,4-5,9-10,12H2,2H3,(H,22,23)