(2-azanyl-2-oxidanylidene-ethyl) 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N

InChI

InChI=1S/C13H17NO3S/c1-2-8-3-4-10-9(5-8)6-11(18-10)13(16)17-7-12(14)15/h6,8H,2-5,7H2,1H3,(H2,14,15)