(2-azanyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl) benzoate

Systemtic Name: (2-azanyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl) benzoate Openeye Name: (2-amino-3-cyano-4,5,6,7-tetrahydrobenzothiophen-6-yl) benzoate CAS Name: benzoic acid (2-amino-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl) ester IUPAC Name: (2-amino-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl) benzoate Traditional Name: benzoic acid (2-amino-3-cyano-4,5,6,7-tetrahydrobenzothiophen-6-yl) ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)C3=CC=CC=C3)SC(=C2C#N)N

Isomeric SMILES

C1CC2=C(CC1OC(=O)C3=CC=CC=C3)SC(=C2C#N)N

InChI

InChI=1S/C16H14N2O2S/c17-9-13-12-7-6-11(8-14(12)21-15(13)18)20-16(19)10-4-2-1-3-5-10/h1-5,11H,6-8,18H2