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

Systemtic Name: methyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N4O3S/c1-25-18(24)16-11-6-2-5-9-14(11)26-17(16)19-15(23)10-22-13-8-4-3-7-12(13)20-21-22/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,19,23)