(E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H24N2O4S/c1-3-27-18-15-16(6-8-17(18)26-2)7-9-20(24)22-10-12-23(13-11-22)21(25)19-5-4-14-28-19/h4-9,14-15H,3,10-13H2,1-2H3/b9-7+