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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N

InChI

InChI=1S/C12H15NO3S/c1-7-2-3-9-8(4-7)5-10(17-9)12(15)16-6-11(13)14/h5,7H,2-4,6H2,1H3,(H2,13,14)