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

Systemtic Name: [1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-pyridylamino)ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-pyridylamino)ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H18N2O3S/c1-11(16(20)19-13-6-8-18-9-7-13)22-17(21)15-10-12-4-2-3-5-14(12)23-15/h6-11H,2-5H2,1H3,(H,18,19,20)