(2-nitrophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-nitrophenyl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-nitrobenzyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c18-16(15-9-11-5-2-4-8-14(11)22-15)21-10-12-6-1-3-7-13(12)17(19)20/h1,3,6-7,9H,2,4-5,8,10H2