(phenylmethyl) 2-azanyl-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 2-amino-2,3,3a,7a-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-amino-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-amino-2,3,3a,7a-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C3C=CC=CC3SC2N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C3C=CC=CC3SC2N

InChI

InChI=1S/C16H17NO2S/c17-15-14(12-8-4-5-9-13(12)20-15)16(18)19-10-11-6-2-1-3-7-11/h1-9,12-15H,10,17H2