[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H17NO4S/c18-15(17-9-12-5-3-7-20-12)10-21-16(19)14-8-11-4-1-2-6-13(11)22-14/h3,5,7-8H,1-2,4,6,9-10H2,(H,17,18)