diethyl 2-[(E)-2-(2,3-dihydro-1-benzothiophen-6-ylamino)ethenyl]propanedioate

Systemtic Name: diethyl 2-[(E)-2-(2,3-dihydro-1-benzothiophen-6-ylamino)ethenyl]propanedioate Openeye Name: diethyl 2-[(E)-2-(2,3-dihydrobenzothiophen-6-ylamino)vinyl]propanedioate CAS Name: 2-[(E)-2-(2,3-dihydro-1-benzothiophen-6-ylamino)ethenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-2-(2,3-dihydro-1-benzothiophen-6-ylamino)ethenyl]propanedioate Traditional Name: 2-[(E)-2-(2,3-dihydrobenzothiophen-6-ylamino)vinyl]malonic acid diethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=CNC1=CC2=C(CCS2)C=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(/C=C/NC1=CC2=C(CCS2)C=C1)C(=O)OCC

InChI

InChI=1S/C17H21NO4S/c1-3-21-16(19)14(17(20)22-4-2)7-9-18-13-6-5-12-8-10-23-15(12)11-13/h5-7,9,11,14,18H,3-4,8,10H2,1-2H3/b9-7+