ethyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(thiophen-2-ylcarbonylamino)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(thiophen-2-ylcarbonylamino)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(thiophene-2-carbonylamino)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]prop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(thiophene-2-carbonylamino)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-thenoylamino)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N3O6S/c1-2-29-22(28)25-9-7-24(8-10-25)21(27)16(23-20(26)19-4-3-11-32-19)12-15-5-6-17-18(13-15)31-14-30-17/h3-6,11-13H,2,7-10,14H2,1H3,(H,23,26)/b16-12-