[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(2-pyridylcarbamoyl)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(2-pyridinylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-2-ylamino)butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(2-pyridylcarbamoyl)propyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H20N2O3S/c1-2-13(17(21)20-16-9-5-6-10-19-16)23-18(22)15-11-12-7-3-4-8-14(12)24-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,21)