[1-[(3-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-[(3-methyl-2-pyridyl)amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(3-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methylpyridin-2-yl)amino]-1-oxopropan-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-[(3-methyl-2-pyridyl)amino]ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

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