(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12(17(20)19-14-8-3-2-4-9-14)22-18(21)16-11-13-7-5-6-10-15(13)23-16/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,19,20)